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cis-(homo)3aconitate

PropertiesImage
MNX_IDMNXM5673 Image of MNXM5673
referencechebi:72712
formulaC9H9O6
global charge-3
mol weight213.165
InChIKeyNGULBISQWGMRGK-WAYWQWQTSA-K
InChIInChI=1S/C9H12O6/c10-7(11)4-2-1-3-6(9(14)15)5-8(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)/p-3/b6-5-
SMILESO=C([O-])/C=C(/CCCCC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C9H12O6/c10-7(11)4-2-1-3-6(9(14)15)5-8(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)/b6-5- Image of MNXM5673
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][C:7](=[O:10])[OH:11])[CH2:3]/[C:6](=[CH:5]/[C:8](=[O:12])[OH:13])[C:9](=[O:14])[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72712
chebi:72712
NGULBISQWGMRGK-WAYWQWQTSA-K 		cis-(homo)3aconitate
(1Z)-hex-1-ene-1,2,6-tricarboxylate
(Z)-1,2,6-hex-1-enetricarboxylate(3-)
(Z)-trihomoaconitate(3-)
cis-(homo)3aconitate(3-)
cis-trihomoaconitate(3-)

bigg.metabolite:h3acon_C
biggM:h3acon_C 		Cis-(homo)3aconitate

kegg.compound:C20582
keggC:C20582
NGULBISQWGMRGK-WAYWQWQTSA-N 		cis-(Homo)3-aconitate

seed.compound:cpd15883
seedM:cpd15883
NGULBISQWGMRGK-WAYWQWQTSA-K 		cis-(homo)3aconitate
(Z)-1,2,6-hex-1-enetricarboxylic acid
cis-(Homo)3-aconitate
h3acon-C

sabiork.compound:27088
sabiorkM:27088 		cis-Homo(3)-aconitate

metacyc.compound:CPD-319
metacycM:CPD-319
NGULBISQWGMRGK-WAYWQWQTSA-K 		cis-trihomoaconitate
(Z)-1,2,6-hex-1-enetricarboxylic acid
cis-(homo)3aconitate

CHEBI:72711
chebi:72711
NGULBISQWGMRGK-WAYWQWQTSA-N 		cis-trihomoaconitic acid
(1Z)-hex-1-ene-1,2,6-tricarboxylic acid
(Z)-1,2,6-hex-1-enetricarboxylic acid
(Z)-trihomoaconitic acid
cis-(homo)3aconitic acid

biggM:M_h3acon_C
keggC:M_C20582
seedM:M_cpd15883 		secondary/obsolete/fantasy identifier