CHEBI:190173 - PC(22:2(13Z,16Z)/15:0)

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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)/15:0)
ChEBI ID CHEBI:190173
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H86NO8P
Net Charge 0
Average Mass 800.156
Monoisotopic Mass 799.60911
InChI InChI=1S/C45H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h14,16,20-21,43H,6-13,15,17-19,22-42H2,1-5H3/b16-14-,21-20-/t43-/m1/s1
InChIKey WMGFLQCWPMXTHR-NXTJWINRSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(22:2(13Z,16Z)/15:0) (CHEBI:190173) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24767253 ChemSpider
HMDB0008592 HMDB
LMGP01012039 LIPID MAPS
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