CHEBI:184127 - PC(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))

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ChEBI Name PC(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
ChEBI ID CHEBI:184127
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H84NO8P
Net Charge 0
Average Mass 834.173
Monoisotopic Mass 833.59346
InChI InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,46H,6-13,18-19,24-25,30-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-/t46-/m1/s1
InChIKey UCQTXWKYRXXLSS-BLDRONNASA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCC/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
ChEBI Ontology
Outgoing PC(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) (CHEBI:184127) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2,3-bis[[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24767070 ChemSpider
HMDB0008409 HMDB
LMGP01011888 LIPID MAPS
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