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trans-Homoaconitate

Properties

Image

Occurences in reactions

MNX_ID

MNXM162779

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₇H₈O₆

charge

mass

188.03209

reference

InChIKey

BJYPZFUWWJSAKC-ONEGZZNKSA-N

InChI

InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/b4-3+

SMILES

O=C(O)/C=C(\CCC(=O)O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80582 chebi:80582 kegg.compound:C16579 keggC:C16579	trans-Homoaconitate (E)-1,2,4-But-1-enetricarboxylic acid
bigg.metabolite:hacon_T biggM:hacon_T	Trans-homoaconitate
envipath:...8f599600264b envipathM:...8f599600264b envipath:...4271aa403a05 envipathM:...4271aa403a05	compound 0042293
seed.compound:cpd15886 seedM:cpd15886	trans-homoaconitate (E)-1,2,4-But-1-enetricarboxylic acid (E)-1,2,4-but-1-enetricarboxylic acid hacon-T homo-trans-aconitate trans-Homoaconitate
metacyc.compound:CPD-149 metacycM:CPD-149	trans-homoaconitate (E)-1,2,4-but-1-enetricarboxylic acid homo-trans-aconitate
biggM:M_hacon_T keggC:M_C16579 seedM:M_cpd15886	secondary/obsolete/fantasy identifier