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

Feedback

5-O-(1-carboxyvinyl)-3-phosphoshikimate

	Properties	Image
MNX_ID	MNXM1365
reference	chebi:57701
formula	C₁₀H₉O₁₀P
global charge	-4
mol weight	320.146
InChIKey	QUTYKIXIUDQOLK-PRJMDXOYSA-J
InChI	InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/p-4/t6-,7-,8+/m1/s1
SMILES	C=C(O[C@@H]1CC(C(=O)[O-])=C[C@@H](OP(=O)([O-])[O-])[C@H]1O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7-,8+/m1/s1
SMILES (mnx)	[CH2:1]=[C:4]([C:9](=[O:12])[OH:13])[O:19][C@@H:6]1[CH2:2][C:5]([C:10](=[O:14])[OH:15])=[CH:3][C@@H:7]([O:20][P:21]([OH:16])([OH:17])=[O:18])[C@H:8]1[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-964900 reactomeM:R-ALL-964900 CHEBI:57701 chebi:57701 QUTYKIXIUDQOLK-PRJMDXOYSA-J	5-O-(1-carboxyvinyl)-3-phosphoshikimate (3R,4S,5R)-5-[(1-carboxylatoethenyl)oxy]-4-hydroxy-3-(phosphonatooxy)cyclohex-1-ene-1-carboxylate 5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate 5-enolpyruvyl shikimate-3-phosphate EPSP(4-)
bigg.metabolite:3psme biggM:3psme vmhM:3psme vmhmetabolite:3psme QUTYKIXIUDQOLK-UHFFFAOYSA-J QUTYKIXIUDQOLK-UHFFFAOYSA-K	5-O-(1-Carboxyvinyl)-3-phosphoshikimate
sabiork.compound:5488 sabiorkM:5488 QUTYKIXIUDQOLK-PRJMDXOYSA-N	5-O-(1-Carboxyvinyl)-3-phosphoshikimate Enolpyruvylshikimate 3-phosphate O5-(1-Carboxyvinyl)-3-phosphoshikimate
kegg.compound:C01269 keggC:C01269 QUTYKIXIUDQOLK-PRJMDXOYSA-N	5-O-(1-Carboxyvinyl)-3-phosphoshikimate O5-(1-Carboxyvinyl)-3-phosphoshikimate
CHEBI:16257 chebi:16257 QUTYKIXIUDQOLK-PRJMDXOYSA-N	5-O-(1-carboxyvinyl)-3-phosphoshikimic acid (3R,4S,5R)-5-(1-carboxyethenyloxy)-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid 5-O-(1-Carboxyvinyl)-3-phosphoshikimate 5-O-(1-carboxyvinyl)-3-phosphoshikimate O5-(1-Carboxyvinyl)-3-phosphoshikimate O5-(1-carboxyvinyl)-3-phosphoshikimate
seed.compound:cpd00932 seedM:cpd00932 QUTYKIXIUDQOLK-PRJMDXOYSA-J	5-O--1-Carboxyvinyl-3-phosphoshikimate 3-enolpyruvyl-shikimate 5-phosphate 3-enolpyruvyl-shikimate-5-P 3-enolpyruvyl-shikimate-5-phosphate 3psme 5-O-(1-Carboxyvinyl)-3-phosphoshikimate 5-O-(1-carboxyvinyl)-3-phosphoshikimate 5-enolpyruvoyl-shikimate 3-phosphate 5-enolpyruvyl-shikimate 3-phosphate 5-enolpyruvyl-shikimate-3-phosphate EPSP O5-(1-Carboxyvinyl)-3-phosphoshikimate
metacyc.compound:3-ENOLPYRUVYL-SHIKIMATE-5P metacycM:3-ENOLPYRUVYL-SHIKIMATE-5P QUTYKIXIUDQOLK-PRJMDXOYSA-J	5-enolpyruvoyl-shikimate 3-phosphate 3-enolpyruvyl-shikimate 5-phosphate 3-enolpyruvyl-shikimate-5-P 5-O-(1-carboxyvinyl)-3-phosphoshikimate 5-enolpyruvyl-shikimate 3-phosphate
chebi:12094 chebi:12097 chebi:20533 chebi:2104 biggM:M_3psme keggC:M_C01269 seedM:M_cpd00932 vmhM:M_3psme	secondary/obsolete/fantasy identifier