EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231079 - PI(16:1(9Z)/6 keto-PGF1alpha)

ChEBI IDCHEBI:231079
ChEBI NamePI(16:1(9Z)/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H79O17P
Net Charge0
Average Mass923.084
Monoisotopic Mass922.50549
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CC(=O)CCCCC(=O)O1)[C@@H](O)C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@@H](O)[C@H]2O
InChIInChI=1S/C45H79O17P/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-23-38(50)59-29-33-30-60-63(57,58)62-45-43(55)40(52)34(26-25-31(46)21-17-6-4-2)36(48)28-37(49)35(41(53)42(54)44(45)56)27-32(47)22-19-20-24-39(51)61-33/h10-11,25-26,31,33-37,40-46,48-49,52-56H,3-9,12-24,27-30H2,1-2H3,(H,57,58)/b11-10-,26-25+/t31-,33+,34-,35-,36+,37-,40+,41+,42-,43+,44+,45+/m0/s1
InChIKeyZLUKBHNBRDRGQV-HGEFEFDVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(16:1(9Z)/6 keto-PGF1alpha) (CHEBI:231079) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1R,6R,15S,16S,18R,19S,20R,21R,22R,23S,24R)-3,16,18,20,21,22,23,24-octahydroxy-19-[(E,3S)-3-hydroxyoct-1-enyl]-3,8,13-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-6-yl]methyl (Z)-hexadec-9-enoate
Manual XrefsDatabases
117229727ChemSpider
HMDB0276160HMDB