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CHEBI:187481 - PC(13:0/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:187481
ChEBI NamePC(13:0/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H72NO8P
Net Charge0
Average Mass713.978
Monoisotopic Mass713.49955
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C39H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-17-15-13-11-9-7-2/h14,16,19-20,22,24,37H,6-13,15,17-18,21,23,25-36H2,1-5H3/b16-14-,20-19-,24-22-/t37-/m1/s1
InChIKeyIMNIZIPMIQIJEG-FLNACLCOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PC(13:0/18:3(6Z,9Z,12Z)) (CHEBI:187481) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01011349LIPID MAPS
113374905ChemSpider