CHEBI:188337 - PC(P-20:0/20:4(5Z,8Z,11Z,14Z))

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ChEBI Name PC(P-20:0/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:188337
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H88NO7P
Net Charge 0
Average Mass 822.206
Monoisotopic Mass 821.62984
InChI InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,33,35,40,43,47H,6-14,16,18-20,22,24-26,28,30-32,34,36-39,41-42,44-46H2,1-5H3/b17-15-,23-21-,29-27-,35-33-,43-40-/t47-/m1/s1
InChIKey UWNFEVACEPZILS-RNNLSGHUSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO/C=C\CCCCCCCCCCCCCCCCCC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(P-20:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:188337) is a 1-(alk-1-enyl)-2-acyl-glycero-3-phosphocholine (CHEBI:78188)
IUPAC Name
[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(Z)-icos-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
113375395 ChemSpider
LMGP01030097 LIPID MAPS
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