Search MNXref
 Feedback

cis-homoaconitate

PropertiesImage
MNX_IDMNXM920 Image of MNXM920
referencechebi:58174
formulaC7H5O6
global charge-3
mol weight185.111
InChIKeyBJYPZFUWWJSAKC-ARJAWSKDSA-K
InChIInChI=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-
SMILESO=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- Image of MNXM920
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
IdentifierDescription

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