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CHEBI:222800 - Macrolactinic acid

ChEBI IDCHEBI:222800
ChEBI NameMacrolactinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O6
Net Charge0
Average Mass420.546
Monoisotopic Mass420.25119
SMILESCC(O)CCC/C=C/CCC(=O)CC(O)C/C=C\C=C\C(O)C/C=C/C=C\C(=O)O
InChIInChI=1S/C24H36O6/c1-20(25)13-7-3-2-4-8-16-22(27)19-23(28)17-11-5-9-14-21(26)15-10-6-12-18-24(29)30/h2,4-6,9-12,14,18,20-21,23,25-26,28H,3,7-8,13,15-17,19H2,1H3,(H,29,30)/b4-2+,10-6+,11-5-,14-9+,18-12-
InChIKeyYXATYAXRBGTMSM-NLFPMTTBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Macrolactinic acid (CHEBI:222800) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(2Z,4E,8E,10Z,18E)-7,13,23-trihydroxy-15-oxotetracosa-2,4,8,10,18-pentaenoic acid
Manual XrefsDatabases
10471753ChemSpider