EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187781 - PC(21:4(6Z,9Z,12Z,15Z)/0:0)

ChEBI IDCHEBI:187781
ChEBI NamePC(21:4(6Z,9Z,12Z,15Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H52NO7P
Net Charge0
Average Mass557.709
Monoisotopic Mass557.34814
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C29H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-26-28(31)27-37-38(33,34)36-25-24-30(2,3)4/h9-10,12-13,15-16,18-19,28,31H,5-8,11,14,17,20-27H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t28-/m1/s1
InChIKeyRNQAOZAEVSUZIQ-USFIXLQGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PC(21:4(6Z,9Z,12Z,15Z)/0:0) (CHEBI:187781) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name 
[(2R)-3-[(6Z,9Z,12Z,15Z)-henicosa-6,9,12,15-tetraenoyl]oxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01050004LIPID MAPS
24823002ChemSpider