Adenylosuccinic acid
(2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
Molecular Identity
Adenylosuccinic acid
(2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
PubChem CID: 447145
2D Structure
Properties
C14H18N5O11P
Molecular Formula
463.29
Molecular Weight
g/mol
463.0740
Exact Mass
Da
-3.2
XLogP
Drug-like (Lipinski: < 5)
247
TPSA
May have limited oral absorption
7
H-Bond Donors
15
H-Bond Acceptors
725
Complexity
SMILES
Canonical SMILES
SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)NC(CC(=O)O)C(=O)OIsomeric SMILES
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)OSynonyms(20)
Adenylosuccinic acidAspartyl adenylate19046-78-7Succinyl AMPX1B4ZJ0IIV(2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acidL-Aspartic acid, N-(9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)-(2S)-2-((9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl)purin-6-yl)amino)butanedioic acid(2S)-2-((9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl)purin-6-yl)amino)butanedioic acid(2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butanedioic acidRefChem:5530332-((9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl)purin-6-yl)amino)butanedioic acidN6-(1,2-dicarboxyethyl)-AMP2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACIDSuccinyladenosine monophosphoric acid
Data from PubChem (NCBI)
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