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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate

	Properties	Image
MNX_ID	MNXM737371
reference	chebi:77657
formula	C₉H₁₂N₃O₉P
global charge	-2
mol weight	337.181
InChIKey	XFVULMDJZXYMSG-ZIYNGMLESA-L
InChI	InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/p-2/t3-,5-,6-,8-/m1/s1
SMILES	NC1=C(C(=O)[O-])[NH+]=CN1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1
SMILES (mnx)	[CH2:1]([C@@H:3]1[C@@H:5]([OH:13])[C@@H:6]([OH:14])[C@H:8]([N:12]2[CH:2]=[N:11][C:4]([C:9](=[O:15])[OH:16])=[C:7]2[NH2:10])[O:21]1)[O:20][P:22]([OH:17])([OH:18])=[O:19]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-111395 reactomeM:R-ALL-111395 CHEBI:77657 chebi:77657 XFVULMDJZXYMSG-ZIYNGMLESA-L	5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 5-amino-1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-imidazol-3-ium-4-carboxylate 5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2-)
kegg.compound:C04751 keggC:C04751 XFVULMDJZXYMSG-ZIYNGMLESA-N	1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate 1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole 1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate 5'-Phosphoribosyl-4-carboxy-5-aminoimidazole 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
sabiork.compound:1894 sabiorkM:1894 XFVULMDJZXYMSG-ZIYNGMLESA-N	1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate 1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole 1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate 5'-Phosphoribosyl-4-carboxy-5-aminoimidazole 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate CAIR
seed.compound:cpd02893 seedM:cpd02893 XFVULMDJZXYMSG-ZIYNGMLESA-L	5'-Phosphoribosyl-4-carboxy-5-aminoimidazole 1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole 1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate 1-(5'-phosphoribosyl)-4-carboxy-5-aminoimidazole 1-(5'-phosphoribosyl)-5-amino-4-imidazole carboxylate 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate 1-(5-phosphoribosyl)-4-carboxy-5-aminoimidazole 1-(5-phosphoribosyl)-5-amino-4-imidazolecarboxylate 4-carboxyaminoimidazole ribonucleotide 5'-P-ribosyl-4-carboxy-5-aminoimidazole 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate 5'-phosphoribosyl-4-carboxy-5-aminoimidazole 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 5-amino-1--5-phospho-D-ribosylimidazole-4-carboxylate 5-phosphoribosyl-4-carboxy-5-aminoimidazole 5aizc CAIR phosphoribosyl-carboxy-aminoimidazole
hmdb:HMDB0006273 XFVULMDJZXYMSG-ZIYNGMLESA-N	5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole 1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylic acid 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylic acid 4-Carboxy-5-aminoimidazole ribonucleotide 5'-Phosphoribosyl-4-carboxy-5-aminoimidazole 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylic acid 5'Phosphoribosyl-4-carboxy-5-aminoimidazole 5-Amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid 5-Amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxylic acid 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 5-Amino-4-carboxyimidazole ribonucleotide 5-Aminoimidazole 4-carboxylic acid ribonucleotide 5-Aminoimidazole carboxilic acid ribonucleotice 5-Aminoimidazole-4-carboxilic acid ribonucleotide 5-Aminoimidazolecarboxylic acid ribonucleotide 5-amino-1-(5-phospho-D-Ribosyl)imidazole-4-carboxylic acid 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazole-4-carboxylic acid 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazole-4-carboxylic acid 5-amino-4-Imidazolecarboxylic acid ribonucleotide AICOR CAIR Carboxy-AIR Carboxyaminoimidazole ribonucleotide Carboxyaminoimidazole ribotide
bigg.metabolite:5aizc biggM:5aizc XFVULMDJZXYMSG-ZIYNGMLESA-L	5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
metacyc.compound:PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE metacycM:PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE XFVULMDJZXYMSG-ZIYNGMLESA-K	5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 1-(5'-phosphoribosyl)-4-carboxy-5-aminoimidazole 1-(5'-phosphoribosyl)-5-amino-4-imidazole carboxylate 1-(5-phosphoribosyl)-4-carboxy-5-aminoimidazole 4-carboxyaminoimidazole ribonucleotide 5'-P-ribosyl-4-carboxy-5-aminoimidazole 5'-phosphoribosyl-4-carboxy-5-aminoimidazole 5-phosphoribosyl-4-carboxy-5-aminoimidazole CAIR phosphoribosyl-carboxy-aminoimidazole
vmhM:5aizc vmhmetabolite:5aizc XFVULMDJZXYMSG-ZIYNGMLESA-K	5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazole-4-carboxylic acid
CHEBI:28413 chebi:28413 XFVULMDJZXYMSG-ZIYNGMLESA-N	5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole 1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate 5'-Phosphoribosyl-4-carboxy-5-aminoimidazole 5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid
CHEBI:58564 chebi:58564 XFVULMDJZXYMSG-ZIYNGMLESA-K	5-amino-1-(5-phosphonato-D-ribosyl)imidazole-4-carboxylate 5-amino-1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylate
hmdb:HMDB06273 chebi:12103 chebi:18968 chebi:575 biggM:M_5aizc keggC:M_C04751 seedM:M_cpd02893 vmhM:M_5aizc	secondary/obsolete/fantasy identifier