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

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(E)-4-coumarate

	Properties	Image
MNX_ID	MNXM1370019
reference	chebi:12876
formula	C₉H₇O₃
global charge	-1
mol weight	163.152
InChIKey	NGSWKAQJJWESNS-ZZXKWVIFSA-M
InChI	InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/p-1/b6-3+
SMILES	O=C([O-])/C=C/C1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
SMILES (mnx)	[CH:1]1=[CH:4][C:8]([OH:10])=[CH:5][CH:2]=[C:7]1/[CH:3]=[CH:6]/[C:9](=[O:11])[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	45
in models (compartimentalized)	21

Similar chemical compounds in external resources
Identifier	Description
CHEBI:12876 chebi:12876 NGSWKAQJJWESNS-ZZXKWVIFSA-M	(E)-4-coumarate (2E)-3-(4-hydroxyphenyl)acrylate (2E)-3-(4-hydroxyphenyl)prop-2-enoate trans-4-coumarate trans-p-coumarate
seed.compound:cpd00604 seedM:cpd00604 NGSWKAQJJWESNS-ZZXKWVIFSA-M	4-Coumarate 4-Hydroxycinnamate 4-Hydroxycinnamic acid 4-coumarate 4-hydroxycinnamate 4-hydroxycinnamic acid T4hcinnm p-Coumaric acid p-coumarate p-coumaric acid trans-4-Hydroxycinnamate trans-4-coumarate trans-4-hydroxycinnamate trans-p-Hydroxycinnamate trans-p-hydroxycinnamate
kegg.compound:C00811 keggC:C00811 NGSWKAQJJWESNS-ZZXKWVIFSA-N	4-Coumarate 4-Hydroxycinnamate 4-Hydroxycinnamic acid p-Coumaric acid trans-4-Hydroxycinnamate trans-p-Hydroxycinnamate
hmdb:HMDB0002035 NGSWKAQJJWESNS-ZZXKWVIFSA-N	4-Hydroxycinnamic acid (2E)-3-(4-Hydroxyphenyl)-2-propenoic acid (2E)-3-(4-Hydroxyphenyl)acrylate (2E)-3-(4-Hydroxyphenyl)acrylic acid (2E)-3-(4-Hydroxyphenyl)prop-2-enoic acid (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid (E)-3-(4-Hydroxyphenyl)acrylic acid (E)-4-Hydroxycinnamic acid (e)-3-(4-Hydroxyphenyl)-2-propenoate (e)-3-(4-Hydroxyphenyl)-2-propenoic acid (e)-p-Coumarate (e)-p-Coumaric acid (e)-p-Hydroxycinnamate (e)-p-Hydroxycinnamic acid 3-(4-Hydroxyphenyl)-2-propenoate 3-(4-Hydroxyphenyl)-2-propenoic acid 3-(4-Hydroxyphenyl)acrylate 3-(4-Hydroxyphenyl)acrylic acid 4'-HYDROXYCINNAMIC ACID 4'-HYDROXYCINNAMate 4'-Hydroxycinnamic acid 4-Coumarate 4-Coumaric acid, (Z)-isomer 4-Coumaric acid, (e)-isomer 4-Coumaric acid, disodium salt 4-Hydroxy cinnamate 4-Hydroxy cinnamic acid 4-Hydroxycinnamate 4-Hydroxyphenylpropenoate 4-Hydroxyphenylpropenoic acid Hydroxycinnamate Hydroxycinnamic acid Naringeninate Naringeninic acid P-Cumarate P-Cumaric acid P-Hydroxycinnamate P-Hydroxyphenylacrylate P-Hydroxyphenylacrylic acid Para coumarate Para coumaric acid Para-coumarate Para-coumaric acid b-[4-Hydroxyphenyl]acrylate b-[4-Hydroxyphenyl]acrylic acid beta-[4-Hydroxyphenyl]acrylate beta-[4-Hydroxyphenyl]acrylic acid cis-P-Coumarate coumaric acid p-Coumarate p-Coumaric acid p-Coumaryl alcohol p-Cumaric acid p-Hydroxy-trans-cinnamic acid p-Hydroxycinnamic acid p-Hydroxyphenylacrylic acid p-trans-Coumaric acid trans-3-(4'-Hydroxyphenyl)-2-propenoic acid trans-3-(4-Hydroxyphenyl)-2-propenoic acid trans-4-Coumarate trans-4-Coumaric acid trans-4-Hydroxycinnamate trans-HPPA trans-p-Coumarate trans-p-Coumaric acid trans-p-Coumarinate trans-p-Coumarinic acid trans-p-Hydroxycinnamate trans-p-Hydroxycinnamic acid
metacyc.compound:COUMARATE metacycM:COUMARATE NGSWKAQJJWESNS-ZZXKWVIFSA-M	4-coumarate (2E)-3-(4-hydroxyphenyl)acrylate (2E)-3-(4-hydroxyphenyl)prop-2-enoate 4-hydroxycinnamate 4-hydroxycinnamic acid p-coumarate p-coumaric acid trans-4-coumarate trans-4-hydroxycinnamate trans-p-hydroxycinnamate
bigg.metabolite:T4hcinnm biggM:T4hcinnm NGSWKAQJJWESNS-ZZXKWVIFSA-M	Trans 4 Hydroxycinnamate
vmhM:T4hcinnm vmhmetabolite:T4hcinnm NGSWKAQJJWESNS-ZZXKWVIFSA-M	trans-4-coumarate (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CHEBI:32374 chebi:32374 NGSWKAQJJWESNS-ZZXKWVIFSA-N	trans-4-coumaric acid (2E)-3-(4-hydroxyphenyl)acrylic acid (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid (E)-3-(4-hydroxyphenyl)-2-propenoic acid (E)-p-coumaric acid (E)-p-hydroxycinnamic acid 4'-HYDROXYCINNAMIC ACID 4-Hydroxycinnamic acid naringeninic acid p-Coumaric acid trans-4-hydroxycinnamic acid trans-p-Hydroxycinnamate trans-p-coumaric acid trans-p-coumarinic acid trans-p-hydroxycinnamic acid
hmdb:HMDB02035 chebi:1812 chebi:27061 chebi:43108 biggM:M_T4hcinnm keggC:M_C00811 seedM:M_cpd00604 vmhM:M_T4hcinnm	secondary/obsolete/fantasy identifier