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3031-95-6

3031-95-6 Structure

3031-95-6 Structure
IdentificationBack Directory
[Name]

(2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid
[CAS]

3031-95-6
[Synonyms]

SAICAR
Succino-AICAR
5-Aminoimidazole-4-N-succinocarboxamide ribonucleotide
5'-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole
N-Succinyl-5-aMinoiMidazole-4-carboxaMide Ribose 5'-Phosphate
N-[[5-Amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl]-L-aspartic acid
N-[[5-Amino-1-(5-O-phosphono-b-D-ribofuranosyl)-1H-imidazoL-4-yl]carbonyl]-L-aspartic acid
2-[[1-(5-O-Phosphono-β-D-ribofuranosyl)-5-amino-1H-imidazol]-4-ylcarbonylamino]succinic acid
L-Aspartic acid, N-[[5-amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl]-
(2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid
[Molecular Formula]

C13H19N4O12P
[MDL Number]

MFCD28336164
[MOL File]

3031-95-6.mol
[Molecular Weight]

454.28
Chemical PropertiesBack Directory
[Melting point ]

>189°C (dec.)
[density ]

2.18±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

1.86±0.10(Predicted)
[color ]

White to Off-White
[biological source]

synthetic
[Stability:]

Hygroscopic
[Major Application]

metabolomics
[InChIKey]

NAQGHJTUZRHGAC-ZZZDFHIKSA-N
[SMILES]

NC1=C(N=CN1[C@H]2[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O2)C(N[C@@H](CC(O)=O)C(O)=O)=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

N-Succinyl-5-aminoimidazole-4-carboxamide Ribose 5’-Phosphate is a metabolite of Purine. Since adenosine is a potent inhibitor of neuronal function, depressing the release of several excitatory transmitters and causing direct hyperpolarization of neurons, it was possible that the symptoms seen in adenylosuccinate lyase (ASase) deficient patients could reflect an interference of succinylpurines with neurotransmission.
[Definition]

ChEBI: A 1-(phosphoribosyl)imidazolecarboxamide resulting from the formal condesation of the darboxy group of 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid wit the amino group of L-aspartic acid.
[IC 50]

Human Endogenous Metabolite
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