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CHEBI:182442 - 12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadienedioic acid

ChEBI IDCHEBI:182442
ChEBI Name12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadienedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O6
Net Charge0
Average Mass342.432
Monoisotopic Mass342.20424
SMILESCC(=C\C(=O)O)/C=C(\C)CC(C)CCCCC(O)C(CO)C(=O)O
InChIInChI=1S/C18H30O6/c1-12(8-13(2)9-14(3)10-17(21)22)6-4-5-7-16(20)15(11-19)18(23)24/h9-10,12,15-16,19-20H,4-8,11H2,1-3H3,(H,21,22)(H,23,24)/b13-9+,14-10+
InChIKeyQFZISQBFEIXWDM-UTLPMFLDSA-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)
12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadienedioic acid (CHEBI:182442) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid
Manual XrefsDatabases
8580557ChemSpider