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Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified
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ID: 1
[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid
$$$$
Data
More
M. F.
C8H10NO6P
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
P3657
P9255
MP Biomedicals
02102769
02194731
TRC
P991715
Database
Data ID
DrugBank
DB00114
PubChem
1051
M. W.
247.141861
CAS
853645-22-4
Similarity
N/A
ID: 2
cyano[(1R,2R,3R,4R,6Z,8S,11Z,13S,14S,16Z,18S,19S)-8,13,18-tris(2-carbamoylethyl)...
$$$$
Data
M. F.
C63H88CoN14O14P
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S1902
MP Biomedicals
02101401
02103271
02103278
Database
Data ID
DrugBank
DB00115
PubChem
5311498
M. W.
1355.365181
CAS
68-19-9
Similarity
N/A
ID: 3
(2S)-2-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phen...
$$$$
Data
M. F.
C19H23N7O6
Custom Synthesis Information
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Catalog Number
TRC
T293515
Database
Data ID
DrugBank
DB00116
Wikipedia
Tetrahydrofolic_acid
PubChem
91443
M. W.
445.42922
CAS
29347-89-5
Similarity
N/A
ID: 4
(2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid
$$$$
Data
More
M. F.
C6H9N3O2
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
H3911
53319
H6034
(more...)
MP Biomedicals
02101954
02194684
05212554
Alfa Aesar
A10413
Database
Data ID
DrugBank
DB00117
Wikipedia
Histidine
PubChem
6274
M. W.
155.15456
CAS
71-00-1
Similarity
N/A
ID: 5
(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-...
Data
M. F.
C15H22N6O5S
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00118
PubChem
34755
M. W.
398.43738
CAS
29908-03-0
Similarity
N/A
ID: 6
2-oxopropanoic acid
$$$$
Data
More
M. F.
C3H4O3
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
P1656
W297003
107360
(more...)
MP Biomedicals
02102785
02102926
02102782
Alfa Aesar
A13875
Database
Data ID
DrugBank
DB00119
Wikipedia
Pyruvic_acid
PubChem
1060
M. W.
88.06206
CAS
113-24-6
Similarity
N/A
ID: 7
(2S)-2-amino-3-phenylpropanoic acid
$$$$
Data
More
M. F.
C9H11NO2
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
P5482
78019
P8740
(more...)
MP Biomedicals
05220616
02199540
02102623
(more...)
Alfa Aesar
A13238
Database
Data ID
DrugBank
DB00120
Wikipedia
Phenylalanine
PubChem
6140
M. W.
165.18914
CAS
150-30-1
Similarity
N/A
ID: 8
5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid
$$$$
Data
More
M. F.
C10H16N2O3S
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
B4639
B3399
19606
(more...)
MP Biomedicals
02101023
02199537
02194634
Matrix Scientific
074935
Database
Data ID
DrugBank
DB00121
Wikipedia
Biotin
PubChem
171548
M. W.
244.31064
CAS
58-85-5
Similarity
N/A
ID: 9
(2-hydroxyethyl)trimethylazanium
Data
M. F.
C5H14NO+
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00122
Wikipedia
Choline
PubChem
305
M. W.
104.17076
CAS
62–49–7
Similarity
N/A
ID: 10
(2S)-2,6-diaminohexanoic acid
$$$$
Data
More
M. F.
C6H14N2O2
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
L5501
62840
W384704
(more...)
Matrix Scientific
075211
Apollo Scientific
OR14752
Database
Data ID
DrugBank
DB00123
PubChem
5962
M. W.
146.18756
CAS
56-87-1
Similarity
N/A
ID: 11
(2S)-2-amino-5-carbamimidamidopentanoic acid
$$$$
Data
More
M. F.
C6H14N4O2
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
11009
A8094
A4474
(more...)
MP Biomedicals
02100736
02194626
05201612
Alfa Aesar
A15738
Database
Data ID
DrugBank
DB00125
Wikipedia
Arginine
PubChem
6322
M. W.
174.20096
CAS
74-79-3
Similarity
N/A
ID: 12
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one
$$$$
Data
M. F.
C6H8O6
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
A4403
A2174
A2343
(more...)
Alfa Aesar
A15613
11188
36237
Bide Pharmatech
BD21086
Database
Data ID
DrugBank
DB00126
Wikipedia
Vitamin_C
Ascorbic_acid
PubChem
54670067
M. W.
176.12412
CAS
50-81-7
Similarity
N/A
ID: 13
(3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amine
$$$$
Data
More
M. F.
C10H26N4
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
S4264
S3256
S3836
MP Biomedicals
02152069
02152070
05207386
Alfa Aesar
L19562
Database
Data ID
DrugBank
DB00127
Wikipedia
Spermine
PubChem
1103
M. W.
202.34024
CAS
71-44-3
Similarity
N/A
ID: 14
(2S)-2-aminobutanedioic acid
$$$$
Data
More
M. F.
C4H7NO4
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
A5474
A8949
A7219
(more...)
MP Biomedicals
02194633
02100809
02199745
Alfa Aesar
43317
A13520
Database
Data ID
DrugBank
DB00128
PubChem
5960
M. W.
133.10268
CAS
6899-03-2
Similarity
N/A
ID: 15
(2S)-2,5-diaminopentanoic acid
$$$$
Data
M. F.
C5H12N2O2
Custom Synthesis Information
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Catalog Number
Alfa Aesar
A13040
Enamine
EN300-96942
Database
Data ID
DrugBank
DB00129
Wikipedia
Ornithine
PubChem
6262
M. W.
132.16098
CAS
70-26-8
Similarity
N/A
ID: 16
(2S)-2-amino-4-carbamoylbutanoic acid
$$$$
Data
More
M. F.
C5H10N2O3
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S1749
Sigma Aldrich
59202C
G6392
G3126
(more...)
MP Biomedicals
02101806
02194678
02199608
Database
Data ID
DrugBank
DB00130
PubChem
5961
M. W.
146.1445
CAS
56-85-9
Similarity
N/A
ID: 17
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosp...
$$$$
Data
M. F.
C10H14N5O7P
Custom Synthesis Information
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Catalog Number
MP Biomedicals
02100080
Database
Data ID
DrugBank
DB00131
Wikipedia
Adenosine_monophosphate
PubChem
6083
M. W.
347.221221
CAS
61-19-8
Similarity
N/A
ID: 18
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
$$$$
Data
M. F.
C18H30O2
Custom Synthesis Information
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Catalog Number
TRC
L467650
Database
Data ID
DrugBank
DB00132
PubChem
5280934
M. W.
278.4296
CAS
463-40-1
Similarity
N/A
ID: 19
(2S)-2-amino-3-hydroxypropanoic acid
$$$$
Data
More
M. F.
C3H7NO3
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
S4311
S1315
S4500
(more...)
MP Biomedicals
02199560
02194737
02102873
Alfa Aesar
A11179
Database
Data ID
DrugBank
DB03375
DB00133
Wikipedia
Serine
PubChem
5951
M. W.
105.09258
CAS
56-45-1
Similarity
N/A
ID: 20
(2S)-2-amino-4-(methylsulfanyl)butanoic acid
$$$$
Data
More
M. F.
C5H11NO2S
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
64319
M5308
M8439
(more...)
MP Biomedicals
02102291
02199570
02194707
Alfa Aesar
A10318
Database
Data ID
DrugBank
DB00134
PubChem
6137
M. W.
149.21134
CAS
63-68-3
Similarity
N/A
ID: 21
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
$$$$
Data
More
M. F.
C9H11NO3
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
T8566
93829
T4321
(more...)
MP Biomedicals
05218193
02199541
02194759
(more...)
Alfa Aesar
A11141
Database
Data ID
DrugBank
DB00135
Wikipedia
Tyrosine
PubChem
6057
M. W.
181.18854
CAS
556-03-6
Similarity
N/A
ID: 22
(1R,3S)-5-{2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octa...
Data
M. F.
C27H44O3
Custom Synthesis Information
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Catalog Number
Database
Data ID
DrugBank
DB00136
PubChem
10873438
M. W.
416.63646
CAS
32222-06-3
Similarity
N/A
ID: 23
4-[18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadec...
$$$$
Data
M. F.
C40H56O2
Custom Synthesis Information
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Catalog Number
MP Biomedicals
02103292
Database
Data ID
DrugBank
DB00137
PubChem
5368396
M. W.
568.87144
CAS
127-40-2
Similarity
N/A
ID: 24
(2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid
$$$$
Data
More
M. F.
C6H12N2O4S2
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
C8755
C7602
C5735
(more...)
MP Biomedicals
05202117
02194649
02101454
Alfa Aesar
A13762
Database
Data ID
DrugBank
DB00138
PubChem
67678
M. W.
240.30048
CAS
56-89-3
Similarity
N/A
ID: 25
butanedioic acid
$$$$
Data
More
M. F.
C4H6O4
Custom Synthesis Information
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Catalog Number
Sigma Aldrich
S9512
W502707
134384
(more...)
BioBioPha
BBP02045
MP Biomedicals
05223101
02194745
02191449
(more...)
Database
Data ID
DrugBank
DB00139
Wikipedia
Succinic_acid
PubChem
1110
M. W.
118.08804
CAS
110-15-6
Similarity
N/A
ID: 26
7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pte...
$$$$
Data
M. F.
C17H20N4O6
Custom Synthesis Information
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Catalog Number
Selleck Chemicals
S2540
Sigma Aldrich
R9881
R0508
R9504
(more...)
TRC
R414995
Database
Data ID
DrugBank
DB00140
Wikipedia
Riboflavin
PubChem
493570
M. W.
376.3639
CAS
83-88-5
Similarity
N/A
ID: 27
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Data
M. F.
C8H15NO6
Custom Synthesis Information
This compound is available through custom synthesis, please feel free to contact us for a quote. Email:
info@chembase.cn
Suppliers
Catalog Number
Database
Data ID
DrugBank
DB00141
PubChem
439174
M. W.
221.2078
CAS
7512-17-6
Similarity
N/A
ID: 28
(2S)-2-aminopentanedioic acid
$$$$
Data
More
M. F.
C5H9NO4
Custom Synthesis Information
This compound is available through custom synthesis, please feel free to contact us for a quote. Email:
info@chembase.cn
Suppliers
Catalog Number
Sigma Aldrich
G5667
G1251
G8415
(more...)
MP Biomedicals
02101793
02194676
Alfa Aesar
A15031
Database
Data ID
DrugBank
DB00142
PubChem
33032
M. W.
147.12926
CAS
56-86-0
Similarity
N/A
ID: 29
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}but...
$$$$
Data
More
M. F.
C10H17N3O6S
Custom Synthesis Information
This compound is available through custom synthesis, please feel free to contact us for a quote. Email:
info@chembase.cn
Suppliers
Catalog Number
Sigma Aldrich
G6013
G4705
49750
(more...)
Alfa Aesar
A18014
TRC
G597951
Database
Data ID
DrugBank
DB00143
Wikipedia
Glutathione
PubChem