Basic information
- Standard SMILES
Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O- InChIKey
ZJUKTBDSGOFHSH-UHFFFAOYSA-N- Molecular formula
- C14H20N6O5S
- Average molar mass
- 384.41 g/mol
- Monoisotopic mass
- 384.12158874
Overview
(2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid is a nucleobase-containing molecular entity.
Names & identifiers
- Preferred name
- 2-Amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl)sulfanyl)butanoic acid
- IUPAC
- 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Names & synonyms
DTXSID908624972-Amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl)sulfanyl)butanoic acid2-amino-4-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acidRefChem:1062175DTXCID60811250S-adenosyl-dl-homocysteine5'-Deoxy-S-adenosyl-L-homocysteineS-(5''-Adenosyl)-D-homocysteine58976-18-4S-Adenosyl-D-homocysteine(R)-2-Amino-4-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)butanoic acidSAH (S-Adenosylhomocysteine)
Show more names
C14H20N6O5Ss-adenosyl-l-homocysteinSCHEMBL12436336CHEBI:181457S-Adenosyl-L-homocysteine (SAH)S-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)homocysteine2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulanyl]butanoic acid
Database identifiers
- PubChem CID
- 193
- DTXSID
DTXSID90862497- ChEBI
CHEBI:181457
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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