CHEBI:184615 - Pe-nme(22:2(13Z,16Z)/18:1(9Z))

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ChEBI Name Pe-nme(22:2(13Z,16Z)/18:1(9Z))
ChEBI ID CHEBI:184615
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H86NO8P
Net Charge 0
Average Mass 812.167
Monoisotopic Mass 811.60911
InChI InChI=1S/C46H86NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47-3)55-46(49)39-37-35-33-31-29-27-24-19-17-15-13-11-9-7-5-2/h12,14,18-20,24,44,47H,4-11,13,15-17,21-23,25-43H2,1-3H3,(H,50,51)/b14-12-,20-18-,24-19-
InChIKey AFYFLMDIXJQARK-MYACYKOGSA-N
SMILES P(OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(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 Pe-nme(22:2(13Z,16Z)/18:1(9Z)) (CHEBI:184615) is a phosphatidylethanolamine (CHEBI:16038)
IUPAC Name
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
74850441 ChemSpider
HMDB0113570 HMDB
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