CHEBI:138548 - 1-O-(1Z,9-octadecadienyl)-2-(12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:138548
ChEBI Name1-O-(1Z,9-octadecadienyl)-2-(12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-O-(1Z,9-octadecadienyl)-2-(12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
Last Modified28 September 2017
Submittermwilliams
DownloadsMolfile
FormulaC43H76NO8P
Net Charge0
Average Mass766.054
Monoisotopic Mass765.53086
SMILES[H][C@@](CO/C=C\CCCCCC/C=C\CCCCCCCC)(COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCCC
InChIInChI=1S/C43H76NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-21-24-28-32-37-49-39-42(40-51-53(47,48)50-38-36-44)52-43(46)35-31-27-23-20-19-22-26-30-34-41(45)33-29-25-10-8-6-4-2/h14-15,20,22-23,25-26,29-30,32,34,37,41-42,45H,3-13,16-19,21,24,27-28,31,33,35-36,38-40,44H2,1-2H3,(H,47,48)/b15-14-,23-20-,26-22-,29-25-,34-30+,37-32-/t41-,42+/m0/s1
InChIKeyCCKPBQIDBAGJEM-YLQXPMJTSA-N
ChEBI Ontology
Outgoing Relation(s)
1-O-(1Z,9-octadecadienyl)-2-(12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:138548) is a oxidized glycerophosphoethanolamine (CHEBI:138545)
Synonyms  Source
PE(P-18:1(9Z)/20:4(5Z,8Z,10E,14Z)(12OH[S]))LIPID MAPS
18:1p/12-HETE-PELIPID MAPS
Manual XrefsDatabases
LMGP20020006LIPID MAPS