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CHEBI:32393 - erucate

ChEBI IDCHEBI:32393
ChEBI Nameerucate
Stars
DefinitionA unsaturated fatty acid anion that is the conjugate base of erucic acid, formed by deprotonation of the carboxylic acid group.
Last Modified7 February 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H41O2
Net Charge-1
Average Mass337.568
Monoisotopic Mass337.31120
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)[O-]
InChIInChI=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-
InChIKeyDPUOLQHDNGRHBS-KTKRTIGZSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(R,13Z)-docos-13-enoylcarnitine (CHEBI:235446) 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)
2-hydroxyerucate (CHEBI:142988) has functional parent erucate (CHEBI:32393)
erucic acid (CHEBI:28792) is conjugate acid of erucate (CHEBI:32393)
IUPAC Name 
(13Z)-docos-13-enoate
Synonyms  Source
docos-13c-enoateChEBI
cis-Δ13-docosenoateChEBI
(Z)-13-docosenoateChEBI
(22:1n9)ChEBI
UniProt Name  Source
(13Z)-docosenoateUniProt
Manual XrefsDatabases
CPD-14292MetaCyc
Registry NumbersSources
Gmelin:385960Gmelin
Reaxys:6116536Reaxys