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CHEBI:177013 - PC(13:0/21:0)

ChEBI IDCHEBI:177013
ChEBI NamePC(13:0/21:0)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC42H84NO8P
Net Charge0
Average Mass762.107
Monoisotopic Mass761.59346
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
InChIKeyYNAVPMYVEPIOMV-RRHRGVEJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PC(13:0/21:0) (CHEBI:177013) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-henicosanoyloxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24822278ChemSpider
LMGP01010466LIPID MAPS