EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176405 - PC(18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))

ChEBI IDCHEBI:176405
ChEBI NamePC(18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H84NO9P
Net Charge0
Average Mass826.150
Monoisotopic Mass825.58837
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H84NO9P/c1-6-8-10-12-14-15-16-17-18-19-20-21-25-29-33-37-45(49)53-41-44(42-55-57(51,52)54-40-39-47(3,4)5)56-46(50)38-34-30-26-23-22-24-28-32-36-43(48)35-31-27-13-11-9-7-2/h23-24,26-28,31-32,36,43-44,48H,6-22,25,29-30,33-35,37-42H2,1-5H3/b26-23-,28-24-,31-27-,36-32+/t43-,44+/m0/s1
InChIKeyYETXCLLSHIMTGE-KDCNQZJWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
PC(18:0/20:4(5Z,8Z,10E,14Z)(12OH[S])) (CHEBI:176405) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP20010001LIPID MAPS