CHEBI:32393 - erucate

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ChEBI Name erucate
ChEBI ID CHEBI:32393
Definition A unsaturated fatty acid anion that is the conjugate base of erucic acid, formed by deprotonation of the carboxylic acid group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H41O2
Net Charge -1
Average Mass 337.55970
Monoisotopic Mass 337.31120
InChI InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/p-1/b10-9-
InChIKey DPUOLQHDNGRHBS-KTKRTIGZSA-M
SMILES CCCCCCCC\C=C/CCCCCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing erucate (CHEBI:32393) is a docosenoate (CHEBI:78076)
erucate (CHEBI:32393) is a long-chain fatty acid anion (CHEBI:57560)
erucate (CHEBI:32393) is a unsaturated fatty acid anion (CHEBI:2580)
erucate (CHEBI:32393) is conjugate base of erucic acid (CHEBI:28792)
Incoming 2-hydroxyerucate (CHEBI:142988) has functional parent erucate (CHEBI:32393)
N-(13Z-docosenoyl)-phytosphingosine (CHEBI:149662) has functional parent erucate (CHEBI:32393)
N-(13Z-docosenoyl)-sphinganine (CHEBI:149661) has functional parent erucate (CHEBI:32393)
erucic acid (CHEBI:28792) is conjugate acid of erucate (CHEBI:32393)
IUPAC Name
(13Z)-docos-13-enoate
Synonyms Sources
(13Z)-docosenoate UniProt
(22:1n9) ChEBI
(Z)-13-docosenoate ChEBI
cis-Δ13-docosenoate ChEBI
docos-13c-enoate ChEBI
Manual Xref Database
CPD-14292 MetaCyc
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Registry Numbers Types Sources
385960 Gmelin Registry Number Gmelin
6116536 Beilstein Registry Number Beilstein
6116536 Reaxys Registry Number Reaxys
Last Modified
07 February 2019