CHEBI:179027 - PC(16:0/18:2(6Z,9Z))

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ChEBI Name PC(16:0/18:2(6Z,9Z))
ChEBI ID CHEBI:179027
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C42H80NO8P
Net Charge 0
Average Mass 758.075
Monoisotopic Mass 757.56216
InChI InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
InChIKey NVWYLRLKCCCUBZ-PNKFPDHGSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCC/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(16:0/18:2(6Z,9Z)) (CHEBI:179027) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
4943719 ChemSpider
LMGP01010589 LIPID MAPS
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Registry Number Type Source
130614-06-1 CAS Registry Number ChemIDplus