CHEBI:184906 - [3-(docosanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid

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ChEBI Name [3-(docosanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
ChEBI ID CHEBI:184906
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H102NO8P
Net Charge 0
Average Mass 900.361
Monoisotopic Mass 899.73431
InChI InChI=1S/C52H102NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53-3)48-58-51(54)44-42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-5-2/h18,20,50,53H,4-17,19,21-49H2,1-3H3,(H,56,57)/b20-18-
InChIKey WMIBGHUYASUEJQ-ZZEZOPTASA-N
SMILES P(OCC(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(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 [3-(docosanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid (CHEBI:184906) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[1-docosanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Manual Xrefs Databases
74850405 ChemSpider
HMDB0113534 HMDB
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