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CHEBI:184179 - PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))

Default Structure
ChEBI IDCHEBI:184179
ChEBI NamePC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82NO8P
Net Charge0
Average Mass832.157
Monoisotopic Mass831.57781
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,33,35,46H,6-13,18-19,24-25,30-32,34,36-45H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,35-33-/t46-/m1/s1
InChIKeyQVHMQRRJSLXEPV-IKGSXGQDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:184179) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24767071ChemSpider
HMDB0008410HMDB
LMGP01011889LIPID MAPS