CHEBI:186540 - PC(23:1(9Z)/23:1(9Z))

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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(23:1(9Z)/23:1(9Z))
ChEBI ID CHEBI:186540
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C54H104NO8P
Net Charge 0
Average Mass 926.399
Monoisotopic Mass 925.74996
InChI InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30-33,52H,6-29,34-51H2,1-5H3/b32-30-,33-31-/t52-/m1/s1
InChIKey FBOGNPYUFRBIPX-QGXNMIOQSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCCCCCC)([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(23:1(9Z)/23:1(9Z)) (CHEBI:186540) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2,3-bis[[(Z)-tricos-9-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24822723 ChemSpider
LMGP01011141 LIPID MAPS
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