EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199470 - Phlebiachrysoic acid D

ChEBI IDCHEBI:199470
ChEBI NamePhlebiachrysoic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O6
Net Charge0
Average Mass420.546
Monoisotopic Mass420.25119
SMILESCOC1=CC(=O)C(O)=C(CCCCCCC/C=C\CCCCCCCC(=O)O)C1=O
InChIInChI=1S/C24H36O6/c1-30-21-18-20(25)23(28)19(24(21)29)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22(26)27/h2-3,18,28H,4-17H2,1H3,(H,26,27)/b3-2-
InChIKeyADECHVGDPIBMSZ-IHWYPQMZSA-N
Species of MetaboliteComponentSourceComments
Crustodontia chrysocreas (ncbitaxon:2716695) - DOI (10.1002/jlac.199719970207)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phlebiachrysoic acid D (CHEBI:199470) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(Z)-17-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)heptadec-9-enoic acid
Manual XrefsDatabases
8845172ChemSpider