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cis-trihomoaconitic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM5673

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

formula

C₉H₁₂O₆

charge

mass

216.06339

reference

InChIKey

NGULBISQWGMRGK-WAYWQWQTSA-N

InChI

InChI=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)/b6-5-

SMILES

O=C(O)/C=C(/CCCCC(=O)O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72711 chebi:72711	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
bigg.metabolite:h3acon_C biggM:h3acon_C	Cis-(homo)3aconitate
kegg.compound:C20582 keggC:C20582	cis-(Homo)3-aconitate
CHEBI:72712 chebi:72712	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-)
metacyc.compound:CPD-319 metacycM:CPD-319	cis-(homo)3aconitate (Z)-1,2,6-hex-1-enetricarboxylic acid
seed.compound:cpd15883 seedM:cpd15883	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
biggM:M_h3acon_C keggC:M_C20582 seedM:M_cpd15883	secondary/obsolete/fantasy identifier