Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:89625 - cis-4-Octenedioic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
cis-4-Octenedioic acid
ChEBI ID
CHEBI:89625
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C8H12O4
Net Charge
0
Average Mass
172.179
Monoisotopic Mass
172.07356
InChI
InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1-
InChIKey
LQVYKEXVMZXOAH-UPHRSURJSA-N
SMILES
OC(CC/C=C\CCC(O)=O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cis-4-Octenedioic acid (
CHEBI:89625
)
is a
dicarboxylic fatty acid (
CHEBI:189840
)
cis-4-Octenedioic acid (
CHEBI:89625
)
is a
monounsaturated fatty acid (
CHEBI:25413
)
Synonyms
Sources
(4Z)-oct-4-enedioic acid
HMDB
(Z)-4-Octene-1,8-dioate
HMDB
(Z)-4-Octene-1,8-dioic acid
HMDB
cis-4-Octene-1,8-dioate
HMDB
cis-4-Octene-1,8-dioic acid
HMDB
cis-4-Octenedioate
HMDB
Manual Xref
Database
HMDB0004982
HMDB
View more database links
Registry Number
Type
Source
38561-68-1
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
2094705
PubMed citation
Europe PMC
2380628
PubMed citation
Europe PMC
Last Modified
24 January 2023