EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193426 - 31-hydroxy-4Z,18Z,29E-tritriacontatrien-2,32-diynoic acid

ChEBI IDCHEBI:193426
ChEBI Name31-hydroxy-4Z,18Z,29E-tritriacontatrien-2,32-diynoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52O3
Net Charge0
Average Mass496.776
Monoisotopic Mass496.39165
SMILESC#CC(O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCCCC/C=C\C#CC(=O)O
InChIInChI=1S/C33H52O3/c1-2-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36/h1,6,8,25,27-28,30,32,34H,3-5,7,9-24,26H2,(H,35,36)/b8-6-,27-25-,30-28+
InChIKeyIFPTUQDJYQOXAI-JGVVYTLBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
31-hydroxy-4Z,18Z,29E-tritriacontatrien-2,32-diynoic acid (CHEBI:193426) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(4Z,18Z,29E)-31-hydroxytritriaconta-4,18,29-trien-2,32-diynoic acid
Manual XrefsDatabases
LMFA01031127LIPID MAPS
8250106ChemSpider