Chembase list of 866358 unique molecular structures

[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid

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M. F.

C8H10NO6P

Suppliers	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

Suppliers	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

Suppliers	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

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M. F.

C6H9N3O2

Suppliers	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

Suppliers

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

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M. F.

C3H4O3

Suppliers	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

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M. F.

C9H11NO2

Suppliers	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

Suppliers	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+

Suppliers

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

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M. F.

C6H14N2O2

Suppliers	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

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M. F.

C6H14N4O2

Suppliers	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

Suppliers	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

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M. F.

C10H26N4

Suppliers	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

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M. F.

C4H7NO4

Suppliers	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

Suppliers	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

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M. F.

C5H10N2O3

Suppliers	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

Suppliers	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

Suppliers	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

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M. F.

C3H7NO3

Suppliers	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

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M. F.

C5H11NO2S

Suppliers	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

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M. F.

C9H11NO3

Suppliers	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

Suppliers

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

Suppliers	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

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M. F.

C6H12N2O4S2

Suppliers	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

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M. F.

C4H6O4

Suppliers	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

Suppliers	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

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

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M. F.

C5H9NO4

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

Suppliers	Catalog Number
Sigma Aldrich	G6013 G4705 49750 (more...)
Alfa Aesar	A18014
TRC	G597951

Database	Data ID
DrugBank	DB00143
Wikipedia	Glutathione
PubChem

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