CHEBI:179021 - PC(18:0/16:2(2E,4E))

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ChEBI Name PC(18:0/16:2(2E,4E))
ChEBI ID CHEBI:179021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C42H80NO8P
Net Charge 0
Average Mass 758.075
Monoisotopic Mass 757.56216
InChI InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h29,31,33,35,40H,6-28,30,32,34,36-39H2,1-5H3/b31-29+,35-33+/t40-/m1/s1
InChIKey KFEAIZLCQYTLRR-ONIHBDGASA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)\C=C\C=C\CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(18:0/16:2(2E,4E)) (CHEBI:179021) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(2E,4E)-hexadeca-2,4-dienoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24822448 ChemSpider
LMGP01010745 LIPID MAPS
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