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CHEBI:230444 - PE(P-18:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

Default Structure
ChEBI IDCHEBI:230444
ChEBI NamePE(P-18:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78NO10P
Net Charge0
Average Mass800.068
Monoisotopic Mass799.53633
SMILESCCCCCCCCCCCCCCCC/C=C/OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC[C@H](O)[C@@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)CCCCC
InChIInChI=1S/C43H78NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-23-27-35-51-37-40(38-53-55(49,50)52-36-34-44)54-43(48)33-28-32-42(47)41(46)31-26-22-19-18-21-25-30-39(45)29-24-6-4-2/h18-19,21-22,25-27,30-31,35,39-42,45-47H,3-17,20,23-24,28-29,32-34,36-38,44H2,1-2H3,(H,49,50)/b21-18-,22-19+,30-25+,31-26+,35-27+/t39-,40+,41-,42-/m0/s1
InChIKeyREVKRYOCYYJAQL-UWURZWJJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(P-18:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) (CHEBI:230444) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-octadec-1-enoxy]propan-2-yl] (5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate
Manual XrefsDatabases
HMDB0285314HMDB