CHEBI:137872 - PE(P-18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))

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ChEBI Name PE(P-18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))
ChEBI ID CHEBI:137872
ChEBI ASCII Name PE(P-18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C43H78NO8P
Net Charge 0
Average Mass 768.057
Monoisotopic Mass 767.54651
InChI InChI=1S/C43H78NO8P/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/h20,22-23,25-26,29-30,32,34,37,41-42,45H,3-19,21,24,27-28,31,33,35-36,38-40,44H2,1-2H3,(H,47,48)/b23-20-,26-22-,29-25-,34-30+,37-32-/t41-,42+/m0/s1
InChIKey MGODIQYTYGWFSP-RAMILIGYSA-N
SMILES [C@](CO/C=C\CCCCCCCCCCCCCCCC)(OC(=O)CCC/C=C\C\C=C/C=C/[C@H](C/C=C\CCCCC)O)([H])COP(OCCN)(O)=O
ChEBI Ontology
Outgoing PE(P-18:0/20:4(5Z,8Z,10E,14Z)(12OH[S])) (CHEBI:137872) is a 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:17476)
PE(P-18:0/20:4(5Z,8Z,10E,14Z)(12OH[S])) (CHEBI:137872) is a oxidized glycerophosphoethanolamine (CHEBI:138545)
Synonym Source
1-O-(1Z-octadecenyl)-2-(12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine LIPID MAPS
Manual Xref Database
LMGP20020007 LIPID MAPS
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Last Modified
28 September 2017