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cis-(homo)2aconitate

PropertiesImage
MNX_IDMNXM5672 Image of MNXM5672
referencechebi:72710
formulaC8H7O6
global charge-3
mol weight199.138
InChIKeyWXZASCSXAMHFCX-PLNGDYQASA-K
InChIInChI=1S/C8H10O6/c9-6(10)3-1-2-5(8(13)14)4-7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/p-3/b5-4-
SMILESO=C([O-])/C=C(/CCCC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C8H10O6/c9-6(10)3-1-2-5(8(13)14)4-7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/b5-4- Image of MNXM5672
SMILES (mnx)[CH2:1]([CH2:2]/[C:5](=[CH:4]/[C:7](=[O:11])[OH:12])[C:8](=[O:13])[OH:14])[CH2:3][C:6](=[O:9])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72710
chebi:72710
WXZASCSXAMHFCX-PLNGDYQASA-K 		cis-(homo)2aconitate
(1Z)-pent-1-ene-1,2,5-tricarboxylate
(Z)-1,2,5-pent-1-enetricarboxylate(3-)
(Z)-dihomoaconitate(3-)
cis-(homo)2aconitate(3-)
cis-dihomoaconitate(3-)

bigg.metabolite:h2acon_C
biggM:h2acon_C 		Cis-(homo)2aconitate

kegg.compound:C20581
keggC:C20581
WXZASCSXAMHFCX-PLNGDYQASA-N 		cis-(Homo)2-aconitate

seed.compound:cpd15882
seedM:cpd15882
WXZASCSXAMHFCX-PLNGDYQASA-K 		cis-(homo)2aconitate
(Z)-1,2,5-pent-1-enetricarboxylic acid
cis-(Homo)2-aconitate
h2acon-C

sabiork.compound:27086
sabiorkM:27086 		cis-Homo(2)-aconitate

metacyc.compound:CPD-153
metacycM:CPD-153
WXZASCSXAMHFCX-PLNGDYQASA-K 		cis-dihomoaconitate
(Z)-1,2,5-pent-1-enetricarboxylic acid
cis-(homo)2aconitate

CHEBI:72708
chebi:72708
WXZASCSXAMHFCX-PLNGDYQASA-N 		cis-dihomoaconitic acid
(1Z)-pent-1-ene-1,2,5-tricarboxylic acid
(Z)-1,2,5-pent-1-enetricarboxylic acid
(Z)-dihomoaconitic acid

biggM:M_h2acon_C
keggC:M_C20581
seedM:M_cpd15882 		secondary/obsolete/fantasy identifier