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

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5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide

	Properties	Image
MNX_ID	MNXM1408
reference	chebi:58525
formula	C₁₅H₂₁N₅O₁₅P₂
global charge	-4
mol weight	573.301
InChIKey	BLKFNHOCHNCLII-GHVQHMAVSA-J
InChI	InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/p-4/t7-,8-,10+,11-,12-,15-/m1/s1
SMILES	NC(=O)C1=C(NC=NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-])N([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=N1

MNX internals

InChI (mnx)	InChI=1/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8-,10+,11-,12-,15-/m1/s1
SMILES (mnx)	[CH2:1]([C:6]([C@@H:10]([C@@H:7]([CH2:2][O:33][P:36]([OH:27])([OH:28])=[O:29])[OH:22])[OH:23])=[O:21])[N:17]=[CH:4][NH:18][C:14]1=[C:9]([C:13]([NH2:16])=[O:26])[N:19]=[CH:5][N:20]1[C@H:15]1[C@H:12]([OH:25])[C@H:11]([OH:24])[C@@H:8]([CH2:3][O:34][P:37]([OH:30])([OH:31])=[O:32])[O:35]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58525 chebi:58525 BLKFNHOCHNCLII-GHVQHMAVSA-J	5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide 5-[(5-O-phosphonato-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-O-phosphonato-beta-D-ribosyl)imidazole-4-carboxamide 5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide(4-)
CHEBI:27735 chebi:27735 BLKFNHOCHNCLII-GHVQHMAVSA-N	5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide 5-[(5-O-phosphono-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-O-phosphono-beta-D-ribosyl)imidazole-4-carboxamide 5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide N(1)-(5'-phosphoribulosyl)-formimino-5-aminoimidazole-4-carboxamide ribonucleotide N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide PRFAR Phosphoribulosyl-formimino-AICAR-phosphate
bigg.metabolite:prlp biggM:prlp vmhM:prlp vmhmetabolite:prlp BLKFNHOCHNCLII-UHFFFAOYSA-J BLKFNHOCHNCLII-UHFFFAOYSA-L	5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide
sabiork.compound:7675 sabiorkM:7675 BLKFNHOCHNCLII-GHVQHMAVSA-N	N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D- ribosyl)-4-imidazolecarboxamide 5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5- phosphoribosyl)imidazole-4-carboxamide 5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide PRFAR Phosphoribulosyl-formimino-AICAR-phosphate
kegg.compound:C04916 keggC:C04916 BLKFNHOCHNCLII-GHVQHMAVSA-N	N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide 5-[(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide 5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide Phosphoribulosyl-formimino-AICAR-phosphate
hmdb:HMDB0012278 BLKFNHOCHNCLII-GHVQHMAVSA-N	Phosphoribulosylformimino-AICAR-P 5-[(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino]-1-(5-phospho-b-D-ribosyl)imidazole-4-carboxamide 5-[(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide 5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide N(1)-((5'-Phosphoribulosyl)formimino)-5-aminoimidazo-4-carboxamide ribonucleotide N(1)-(5'-Phosphoribulosyl)-formimino-5-aminoimidazole-4-carboxamide ribonucleotide N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide N-(5'-Phospho-D-ribulosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolylcarboxamide N-(5'-phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide N-(5'-phospho-D-ribulosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolylcarboxamide PRFAR Phosphoribosylformimino-aicar-p Phosphoribulosyl-formimino-aicar-phosphate Phosphoribulosyl-formimino-aicar-phosphoric acid prfar {[(2R,3R)-5-{[({4-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-5-yl}amino)methylidene]amino}-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid
seed.compound:cpd02991 seedM:cpd02991 BLKFNHOCHNCLII-GHVQHMAVSA-J	phosphoribulosylformimino-AICAR-phosphate 5-[(5-Phospho-1-deoxy-D-ribulos-1-ylamino)methylideneamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide 5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5- phosphoribosyl)imidazole-4-carboxamide 5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide 5-[(5-phospho-1-deoxy-beta-D-ribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide 5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D- ribosyl)-4-imidazolecarboxamide N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide N-(5'-phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide N-(5'phospho-D-1'-ribulosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide PRFAR Phosphoribulosyl-formimino-AICAR-phosphate phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribonucleotide phosphate phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribotide phosphate phosphoribulosylformimino-AICAR-P phosphoribulosylformiminoAICAR-phosphate prlp
metacyc.compound:PHOSPHORIBULOSYL-FORMIMINO-AICAR-P metacycM:PHOSPHORIBULOSYL-FORMIMINO-AICAR-P BLKFNHOCHNCLII-GHVQHMAVSA-J	phosphoribulosylformimino-AICAR-phosphate 5-[(5-phospho-1-deoxy-beta-D-ribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide N-(5'-phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide N-(5'phospho-D-1'-ribulosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide PRFAR phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribonucleotide phosphate phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribotide phosphate phosphoribulosylformimino-AICAR-P phosphoribulosylformiminoAICAR-phosphate
hmdb:HMDB12278 chebi:12100 chebi:21471 chebi:39698 chebi:7090 biggM:M_prlp keggC:M_C04916 seedM:M_cpd02991 vmhM:M_prlp	secondary/obsolete/fantasy identifier