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

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1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate

	Properties	Image
MNX_ID	MNXM1455
reference	chebi:58613
formula	C₁₂H₁₃NO₉P
global charge	-3
mol weight	346.208
InChIKey	QKMBYNRMPRKVTO-MNOVXSKESA-K
InChI	InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)/p-3/t10-,11+/m1/s1
SMILES	O=C([O-])C1=CC=CC=C1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]

MNX internals

InChI (mnx)	InChI=1/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)/t10-,11+/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]([NH:13][CH2:5][C:9]([C@@H:11]([C@@H:10]([CH2:6][O:22][P:23]([OH:19])([OH:20])=[O:21])[OH:15])[OH:16])=[O:14])[C:7]([C:12](=[O:17])[OH:18])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58613 chebi:58613 QKMBYNRMPRKVTO-MNOVXSKESA-K	1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate 1-(2-carboxylatophenylamino)-1-deoxy-D-erythro-pent-2-ulose 5-phosphate 1-(2-carboxylatophenylamino)-1-deoxy-D-ribulose 5-phosphate(3-) 1-[(2-carboxylatophenyl)amino]-1-deoxy-5-O-phosphonato-D-ribulose
bigg.metabolite:2cpr5p biggM:2cpr5p kegg.compound:C01302 keggC:C01302 vmhM:2cpr5p vmhmetabolite:2cpr5p QKMBYNRMPRKVTO-MNOVXSKESA-N QKMBYNRMPRKVTO-UHFFFAOYSA-K QKMBYNRMPRKVTO-UHFFFAOYSA-L	1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate
sabiork.compound:1711 sabiorkM:1711 QKMBYNRMPRKVTO-MNOVXSKESA-N	1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate CdRP
CHEBI:29112 chebi:29112 QKMBYNRMPRKVTO-MNOVXSKESA-N	1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate 1-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate 1-(2-carboxyphenylamino)-1-deoxy-D-erythro-pent-2-ulose 5-(dihydrogen phosphate) 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribulose
metacyc.compound:CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P metacycM:CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P QKMBYNRMPRKVTO-MNOVXSKESA-K	1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose-5-P 1-(o-carboxyphenylamino)-1'-deoxyribulose 5'-phosphate 1-(o-carboxyphenylamino)-1-deoxyribulose-5'-P
seed.compound:cpd00956 seedM:cpd00956 QKMBYNRMPRKVTO-MNOVXSKESA-K	1-(2-carboxyphenylamino)-1-deoxyribulose 5-phosphate 1-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate 1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose-5-P 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose-5-phosphate 1-(o-carboxyphenylamino)-1'-deoxyribulose 5'-phosphate 1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-P 1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-phosphate 1--2-Carboxyphenylamino-1-deoxy-D-ribulose5-phosphate 2cpr5p
seed.compound:cpd19101 seedM:cpd19101 QKMBYNRMPRKVTO-MNOVXSKESA-K	C10528
chebi:11186 chebi:18959 chebi:565 chebi:566 biggM:M_2cpr5p keggC:M_C01302 seedM:M_cpd00956 seedM:M_cpd19101 vmhM:M_2cpr5p	secondary/obsolete/fantasy identifier