CHEBI:184173 - PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))

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ChEBI Name PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))
ChEBI ID CHEBI:184173
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H84NO7P
Net Charge 0
Average Mass 818.174
Monoisotopic Mass 817.59854
InChI InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,35,37,40,43,47H,6-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,23-21-,26-25-,31-29-,37-35-,43-40-
InChIKey MSCFBKZUOGKJNH-DOWYPDBQSA-N
SMILES P(OCC[N+](C)(C)C)(OCC(O/C=C\CCCCCC/C=C\CCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)([O-])=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). See: MetaboLights Study
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via diglyceride )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via diglyceride )
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ChEBI Ontology
Outgoing PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z)) (CHEBI:184173) is a diglyceride (CHEBI:18035)
IUPAC Name
[3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24767349 ChemSpider
HMDB0008688 HMDB
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