S-adenosylhomocysteine
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Molecular Identity
S-adenosylhomocysteine
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
PubChem CID: 439155
S-adenosyl-L-homocysteine is an organic sulfide that is the S-adenosyl derivative of L-homocysteine. It has a role as a cofactor, an epitope, an EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor, an EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor and a fundamental metabolite. It is a homocysteine derivative, an organic sulfide, a member of adenosines and a member of homocysteines. It is a conjugate acid of a S-adenosyl-L-homocysteinate. It is a tautomer of a S-adenosyl-L-homocysteine zwitterion.
2D Structure
Properties
C14H20N6O5S
Molecular Formula
384.41
Molecular Weight
g/mol
384.1216
Exact Mass
Da
-3.5
XLogP
Drug-like (Lipinski: < 5)
208
TPSA
May have limited oral absorption
5
H-Bond Donors
11
H-Bond Acceptors
504
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
S-adenosylhomocysteine979-92-0S-adenosyl-L-homocysteineS-(5'-deoxyadenosin-5'-yl)-L-homocysteineS-(5'-adenosyl)-L-homocysteineadenosylhomocysteineAdenosyl-L-homocysteine2-S-adenosyl-L-homocysteineL-Homocysteine, S-(5'-deoxyadenosin-5'-yl)-adenosylhomo-cysadenosyl-homo-cys8K31Q2S66S(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acidCHEBI:16680DTXSID30895860
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to S-adenosylhomocysteine
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