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CHEBI:28792 - erucic acid

Default Structure
ChEBI IDCHEBI:28792
ChEBI Nameerucic acid
Stars
DefinitionA docosenoic acid having a cis- double bond at C-13. It is found particularly in brassicas - it is a major component of mustard and rapeseed oils and is produced by broccoli, Brussels sprouts, kale, and wallflowers.
Secondary ChEBI IDsCHEBI:4836, CHEBI:23275
Last Modified19 February 2020
DownloadsMolfile
FormulaC22H42O2
Net Charge0
Average Mass338.576
Monoisotopic Mass338.31848
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)/b10-9-
InChIKeyDPUOLQHDNGRHBS-KTKRTIGZSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
erucic acid (CHEBI:28792) is a docosenoic acid (CHEBI:36031)
erucic acid (CHEBI:28792) is conjugate acid of erucate (CHEBI:32393)
Incoming Relation(s)
N-[(13Z)-docosenoyl]-tetradecasphing-4-enine-1-phosphoethanolamine (CHEBI:86526) has functional parent erucic acid (CHEBI:28792)
N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholine (CHEBI:74533) has functional parent erucic acid (CHEBI:28792)
1-eicosanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86216) has functional parent erucic acid (CHEBI:28792)
1-erucoylglycerol (CHEBI:142498) has functional parent erucic acid (CHEBI:28792)
1-hexadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:73875) has functional parent erucic acid (CHEBI:28792)
1-hexadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86174) has functional parent erucic acid (CHEBI:28792)
1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86196) has functional parent erucic acid (CHEBI:28792)
2-hydroxyerucic acid (CHEBI:143027) has functional parent erucic acid (CHEBI:28792)
erucamide (CHEBI:142245) has functional parent erucic acid (CHEBI:28792)
erucoyl-CoA (CHEBI:74106) has functional parent erucic acid (CHEBI:28792)
ethyl (13Z)-docosenoate (CHEBI:84891) has functional parent erucic acid (CHEBI:28792)
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/22:1(13Z)) (CHEBI:84987) has functional parent erucic acid (CHEBI:28792)
erucate (CHEBI:32393) is conjugate base of erucic acid (CHEBI:28792)
erucoyl group (CHEBI:32394) is substituent group from erucic acid (CHEBI:28792)
IUPAC Name 
(13Z)-docos-13-enoic acid
Synonyms  Source
13-cis-docosenoic acidChemIDplus
(13Z)-13-docosenoic acidNIST Chemistry WebBook
(13Z)-Docosenoic acidKEGG COMPOUND
22:1ω9ChEBI
C22:1n-9LIPID MAPS
cis-13-Docosenoic acidKEGG COMPOUND
Manual XrefsDatabases
C00001217KNApSAcK
C08316KEGG COMPOUND
CPD-14292MetaCyc
Erucic_acidWikipedia
HMDB0002068HMDB
LMFA01030089LIPID MAPS
Registry NumbersSources
Reaxys:1728049Reaxys
Gmelin:177365Gmelin
CAS:112-86-7NIST Chemistry WebBook
CAS:112-86-7KEGG COMPOUND
CAS:112-86-7ChemIDplus
Citations