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

Feedback

cis-caffeic acid

MNXM1130 is deprecated and here replaced by MNXM1370995
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1370995
reference	chebi:17395
formula	C₉H₈O₄
global charge	0
mol weight	180.159
InChIKey	QAIPRVGONGVQAS-RQOWECAXSA-N
InChI	InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-
SMILES	O=C(O)/C=C\C1=CC(O)=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2-
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([OH:10])=[C:8]([OH:11])[CH:5]=[C:6]1/[CH:2]=[CH:4]\[C:9](=[O:12])[OH:13]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17395 chebi:17395 QAIPRVGONGVQAS-RQOWECAXSA-N	cis-caffeic acid (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid 3,4-Dihydroxycinnamic acid Caffeate Caffeic acid cis-Caffeic acid
seed.compound:cpd25047 seedM:cpd25047 QAIPRVGONGVQAS-RQOWECAXSA-M	(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid 3,4-dihydroxy-cis-cinnamate 3,4-dihydroxy-cis-cinnamic acid cis-caffeate cis-caffeic acid
hmdb:HMDB0003501 QAIPRVGONGVQAS-RQOWECAXSA-N	cis-Caffeic acid (2Z)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (Z)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid (Z)-Caffeic acid 3,4-Dihydroxybenzeneacrylate 3,4-Dihydroxybenzeneacrylic acid 3,4-Dihydroxycinnamate 3,4-Dihydroxycinnamic acid 3-(3,4-Dihydroxyphenyl)-2-propenoic acid 3-(3,4-Dihydroxyphenyl)propenoic acid 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene 4-(2'-carboxyvinyl)-1,2-dihydroxybenzene 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene Caffeate Caffeic acid Caffeic acid pure Caffeicacid DHCA Isocaffeic acid caffeicacid cis-3,4-Dihydroxycinnamic acid cis-Caffeate
CHEBI:58129 chebi:58129 QAIPRVGONGVQAS-RQOWECAXSA-M	cis-caffeate (2Z)-3-(3,4-dihydroxyphenyl)acrylate (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate cis-caffeate anion cis-caffeate(1-)
metacyc.compound:CPD-8098 metacycM:CPD-8098 QAIPRVGONGVQAS-RQOWECAXSA-M	cis-caffeate (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid cis-3,4-dihydroxy-cinnamate cis-caffeic acid
hmdb:HMDB0006494 hmdb:HMDB03501 hmdb:HMDB06494 chebi:13929 chebi:19880 chebi:19881 chebi:22979 chebi:3292 seedM:M_cpd25047	secondary/obsolete/fantasy identifier