CHEBI:196822 - PC(16:0/18:2(9E,12E))

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ChEBI Name PC(16:0/18:2(9E,12E))
ChEBI ID CHEBI:196822
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/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(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/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14+,21-20+/t40-/m1/s1
InChIKey JLPULHDHAOZNQI-JLOPVYAASA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(16:0/18:2(9E,12E)) (CHEBI:196822) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
17341551 ChemSpider
LMGP01010592 LIPID MAPS
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