EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77475 - 1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2−)

ChEBI IDCHEBI:77475
ChEBI Name1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2−)
Stars
ASCII Name1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2-)
DefinitionA 1-alkylglycerone 3-phosphate(2−) obtained by deprotonation of the phosphate OH groups of 1-O-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate; major species at pH 7.3.
Last Modified9 April 2014
Submitterlaimo
DownloadsMolfile
FormulaC21H35O6P
Net Charge-2
Average Mass414.479
Monoisotopic Mass414.21822
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-]
InChIInChI=1S/C21H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h3-4,6-7,9-10H,2,5,8,11-20H2,1H3,(H2,23,24,25)/p-2/b4-3-,7-6-,10-9-
InChIKeyXPPNSIXWMCDITM-PDBXOOCHSA-L
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2−) (CHEBI:77475) is a 1-alkylglycerone 3-phosphate(2−) (CHEBI:73315)
1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2−) (CHEBI:77475) is conjugate base of 1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate (CHEBI:78165)
Incoming Relation(s)
1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate (CHEBI:78165) is conjugate acid of 1-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate(2−) (CHEBI:77475)
IUPAC Name 
3-[(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-yloxy]-2-oxopropyl phosphate
Synonyms  Source
1-(9cis,12cis,15cis)-octadecatrienylglycerone 3-phosphate(2−)SUBMITTER
1-O-(9Z,12Z,15Z)-octadecatrienyl-DHAP(2−)SUBMITTER
UniProt Name  Source
1-O-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphateUniProt