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

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cis-homoaconitate

	Properties	Image
MNX_ID	MNXM920
reference	chebi:58174
formula	C₇H₅O₆
global charge	-3
mol weight	185.111
InChIKey	BJYPZFUWWJSAKC-ARJAWSKDSA-K
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)/p-3/b4-3-
SMILES	O=C([O-])/C=C(/CCC(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/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 (mnx)	[CH2:1]([CH2:2][C:5](=[O:8])[OH:9])/[C:4](=[CH:3]/[C:6](=[O:10])[OH:11])[C:7](=[O:12])[OH:13]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58174 chebi:58174 BJYPZFUWWJSAKC-ARJAWSKDSA-K	cis-homoaconitate (1Z)-but-1-ene-1,2,4-tricarboxylate but-1-ene-1,2,4-tricarboxylate but-1-ene-1,2,4-tricarboxylate trianion cis-homoaconitate trianion cis-homoaconitate(3-)
kegg.compound:C04002 keggC:C04002 BJYPZFUWWJSAKC-ARJAWSKDSA-N	(Z)-But-1-ene-1,2,4-tricarboxylate (1Z)-But-1-ene-1,2,4-tricarboxylic acid (Z)-1,2,4-But-1-enetricarboxylic acid Homo-cis-aconitate cis-Homoaconitate
hmdb:HMDB0060320 BJYPZFUWWJSAKC-ARJAWSKDSA-N	(Z)-But-1-ene-1,2,4-tricarboxylate (1Z)-but-1-ene-1,2,4-tricarboxylic acid (Z)-1,2,4-But-1-enetricarboxylate (Z)-1,2,4-But-1-enetricarboxylic acid (Z)-But-1-ene-1,2,4-tricarboxylic acid But-1-ene-1,2,4-tricarboxylate But-1-ene-1,2,4-tricarboxylic acid Homo-cis-aconitate Homo-cis-aconitic acid cis-Homoaconitate cis-Homoaconitic acid homo-cis-aconitate
seed.compound:cpd28715 seedM:cpd28715	3-carboxyhex-2-enedioate But-1-ene-1,2,4-tricarboxylate
bigg.metabolite:b124tc biggM:b124tc	But 1 ene 1 2 4 tricarboxylate
sabiork.compound:7009 sabiorkM:7009 BJYPZFUWWJSAKC-ARJAWSKDSA-N	But-1-ene-1,2,4-tricarboxylate Homo-cis-aconitate cis-Homoaconitate
bigg.metabolite:hacon_C biggM:hacon_C	Cis-homoaconitate
CHEBI:17516 chebi:17516 BJYPZFUWWJSAKC-ARJAWSKDSA-N	but-1-ene-1,2,4-tricarboxylic acid (1Z)-but-1-ene-1,2,4-tricarboxylic acid (Z)-1,2,4-But-1-enetricarboxylic acid But-1-ene-1,2,4-tricarboxylate Homo-cis-aconitate cis-Homoaconitate
lipidmaps:LMFA01030999 lipidmapsM:LMFA01030999 BJYPZFUWWJSAKC-ARJAWSKDSA-N	but-1-ene-1,2,4-tricarboxylic acid (1Z)-but-1-ene-1,2,4-tricarboxylic acid FA 7:3 O4
vmhM:hacon_C vmhmetabolite:hacon_C BJYPZFUWWJSAKC-ARJAWSKDSA-N	cis-Homoaconitate (iAF692)
seed.compound:cpd02483 seedM:cpd02483 BJYPZFUWWJSAKC-ARJAWSKDSA-K	cis-Homoaconitate (Z)-1,2,4-But-1-enetricarboxylic acid (Z)-1,2,4-but-1-enetricarboxylic acid (Z)-But-1-ene-1,2,4-tricarboxylate (Z)-but-1-ene-1,2,4-tricarboxylate 3-carboxyhex-2-enedioate Homo-cis-aconitate b124tc cis-homoaconitate homo-cis-aconitate
metacyc.compound:HOMO-CIS-ACONITATE metacycM:HOMO-CIS-ACONITATE BJYPZFUWWJSAKC-ARJAWSKDSA-K	cis-homoaconitate (Z)-1,2,4-but-1-enetricarboxylic acid (Z)-but-1-ene-1,2,4-tricarboxylate 3-carboxyhex-2-enedioate homo-cis-aconitate
hmdb:HMDB60320 chebi:13920 chebi:22935 chebi:3226 biggM:M_b124tc biggM:M_hacon_C keggC:M_C04002 seedM:M_cpd02483 seedM:M_cpd28715 vmhM:M_hacon_C	secondary/obsolete/fantasy identifier