CHEBI:187699 - PC(2:0/18:1(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(2:0/18:1(9Z))
ChEBI ID CHEBI:187699
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H54NO8P
Net Charge 0
Average Mass 563.713
Monoisotopic Mass 563.35870
InChI InChI=1S/C28H54NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)37-27(24-34-26(2)30)25-36-38(32,33)35-23-22-29(3,4)5/h13-14,27H,6-12,15-25H2,1-5H3/b14-13-/t27-/m1/s1
InChIKey QXMOMRCLDDYEGS-ZYRNGQCSSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)C)([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(2:0/18:1(9Z)) (CHEBI:187699) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-acetyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24822617 ChemSpider
LMGP01010991 LIPID MAPS
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