EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230162 - PC(20:4(5Z,8Z,11Z,14Z)/PGD1)

ChEBI IDCHEBI:230162
ChEBI NamePC(20:4(5Z,8Z,11Z,14Z)/PGD1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82NO11P
Net Charge0
Average Mass880.154
Monoisotopic Mass879.56255
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC[C@H]1[C@@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C48H82NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-32-47(53)57-39-42(40-59-61(55,56)58-37-36-49(3,4)5)60-48(54)33-29-25-24-27-31-43-44(46(52)38-45(43)51)35-34-41(50)30-26-9-7-2/h12-13,15-16,18-19,21-22,34-35,41-45,50-51H,6-11,14,17,20,23-33,36-40H2,1-5H3/b13-12-,16-15-,19-18-,22-21-,35-34+/t41-,42+,43+,44+,45-/m0/s1
InChIKeyABVCYMWUBRLWDH-ZMMZNLMSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(20:4(5Z,8Z,11Z,14Z)/PGD1) (CHEBI:230162) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]heptanoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
128425548ChemSpider
HMDB0287545HMDB