CHEBI:186271 - PC(22:2(13Z,16Z)/22:0)

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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)/22:0)
ChEBI ID CHEBI:186271
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H100NO8P
Net Charge 0
Average Mass 898.345
Monoisotopic Mass 897.71866
InChI InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,50H,6-13,15,17-19,21,23-49H2,1-5H3/b16-14-,22-20-/t50-/m1/s1
InChIKey YCDLJHRXGRSIFK-LVDJSSFOSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)([O-])=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PC(22:2(13Z,16Z)/22:0) (CHEBI:186271) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-docosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24767271 ChemSpider
HMDB0008610 HMDB
LMGP01012061 LIPID MAPS
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