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(Q82401752)
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English
(2R)-2-Amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
384.1215887399999
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S)-2-amino-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
S-adenosyl-L-homocysteine
1 reference
based on heuristic
inferred from InChI
S-adenosyl-L-homocysteine zwitterion
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₂₀N₆O₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@@H](N)C(=O)O)[C@@H](O)[C@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
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-/m1/s1
0 references
InChIKey
ZJUKTBDSGOFHSH-KWGHVAAJSA-N
0 references
CAS Registry Number
53276-26-9
0 references
PubChem CID
13231890
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZJUKTBDSGOFHSH-KWGHVAAJSA-N
UniChem compound ID
358625
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30530542
1 reference
matched by identifier from
InChIKey
InChIKey
ZJUKTBDSGOFHSH-KWGHVAAJSA-N
DSSTOX compound identifier
DTXCID60481331
0 references
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