-
(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid
-
ChemBase ID:
129344
-
Molecular Formular:
C14H20N6O5S
-
Molecular Mass:
384.4108
-
Monoisotopic Mass:
384.12158877
-
SMILES and InChIs
SMILES:
O=C(O)[C@@H](N)CCSC[C@H]1O[C@@H](n2cnc3c(ncnc23)N)[C@H](O)[C@@H]1O
Canonical SMILES:
OC(=O)[C@H](CCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)N
InChI:
InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKey:
ZJUKTBDSGOFHSH-WFMPWKQPSA-N
-
Cite this record
CBID:129344 http://www.chembase.cn/molecule-129344.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid
|
|
|
IUPAC Traditional name
|
S-adenosyl-L-homocysteine
|
|
|
Synonyms
|
AdoHcy
|
2-S-adenosyl-L-homocysteine
|
5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosineS-adenosylhomocysteine
|
SAH
|
S-Adenosyl-L-homocysteine
|
S-(5'-Deoxyadenosin-5'-yl)-L-homocysteine
|
L-5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine
|
Adenosyl-L-homocysteine
|
Adenosylhomocysteine
|
L-S-Adenosylhomocysteine
|
S-Adenosyl-L-homocysteine
|
S-Adenosylhomocysteine
|
S-(5'-Adenosyl)-L-homocysteine
|
5′-Deoxy-S-adenosyl-L-homocysteine
|
S-(5′-Deoxyadenosine-5′)-L-homocysteine
|
S-(5′-Adenosyl)-L-homocysteine
|
|
|
CAS Number
|
|
EC Number
|
|
MDL Number
|
|
Beilstein Number
|
|
PubChem SID
|
|
PubChem CID
|
|
CHEBI ID
|
|
CHEMBL
|
|
Chemspider ID
|
|
KEGG ID
|
|
MeSH Name
|
|
Wikipedia Title
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
1.8116993
|
H Acceptors
|
10
|
H Donor
|
5
|
LogD (pH = 5.5)
|
-4.137044
|
LogD (pH = 7.4)
|
-4.026673
|
Log P
|
-4.0272307
|
Molar Refractivity
|
92.7235 cm3
|
Polarizability
|
36.396317 Å3
|
Polar Surface Area
|
182.63 Å2
|
Rotatable Bonds
|
7
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
Wikipedia
Sigma Aldrich
TRC
Sigma Aldrich -
A9384
|
包装 10 mg in autosmp vl Application S-(5′-Adenosyl)-L-homocysteine (AdoHcy) is a component of intracellular homocysteine stress. AdoHcy is a competitive inhibitor (versus AdoMet) of DNA methyltransferases (S-adenosyl-L-methionine (AdoMet)-dependent methyltransferases) involved in epigenetics; consequently AdoHcy is used in a variety of studies on epigenetics in hyperhomocysteinemic states. S-adenosylhomocysteine (AdoHcy) is metabolized by S-adenosylhomocysteine (AdoHcy) hydrolase (AHCY). |
Sigma Aldrich -
02090
|
Other Notes AdoHcy is a strong inhibitor of most biological transmethylation reactions1 |
PATENTS
PATENTS
PubChem Patent
Google Patent