CHEBI:184812 - [2-(methylamino)ethoxy]({3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy})phosphinic acid

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ChEBI Name [2-(methylamino)ethoxy]({3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy})phosphinic acid
ChEBI ID CHEBI:184812
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C38H66NO8P
Net Charge 0
Average Mass 695.919
Monoisotopic Mass 695.45261
InChI InChI=1S/C38H66NO8P/c1-4-6-8-10-12-14-16-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39-3)47-38(41)31-29-27-25-23-20-15-13-11-9-7-5-2/h6,8,11-14,17-18,21-22,36,39H,4-5,7,9-10,15-16,19-20,23-35H2,1-3H3,(H,42,43)/b8-6-,13-11-,14-12-,18-17-,22-21-
InChIKey ZDQDKSUHVALMDF-GSDLJAGWSA-N
SMILES P(OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing [2-(methylamino)ethoxy]({3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy})phosphinic acid (CHEBI:184812) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual Xrefs Databases
74850123 ChemSpider
HMDB0113251 HMDB
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