CHEBI:179018 - PC(22:2(13Z,16Z)/12:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PC(22:2(13Z,16Z)/12:0)
ChEBI ID CHEBI:179018
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/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-26-15-13-11-9-7-2/h14,16,18-19,40H,6-13,15,17,20-39H2,1-5H3/b16-14-,19-18-/t40-/m1/s1
InChIKey IWIFEVQMTXPXSD-HRJWAVGKSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(22:2(13Z,16Z)/12:0) (CHEBI:179018) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-dodecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xref Database
LMGP01012035 LIPID MAPS
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