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CHEBI:89420 - PC(18:4(6Z,9Z,12Z,15Z)/18:0)

ChEBI IDCHEBI:89420
ChEBI NamePC(18:4(6Z,9Z,12Z,15Z)/18:0)
Stars
Last Modified13 July 2017
DownloadsMolfile
FormulaC44H80NO8P
Net Charge0
Average Mass782.097
Monoisotopic Mass781.56216
SMILES[H][C@@](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,42H,6-7,9,11-13,15,17-19,21,23-25,27,29-41H2,1-5H3/b10-8-,16-14-,22-20-,28-26-/t42-/m1/s1
InChIKeyMGPSPRHJNJDBJK-TXLPWOKVSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (24023812)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
Ovis aries (ncbitaxon:9940) - MetaboLights (MTBLS322) From MetaboLights
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PC(18:4(6Z,9Z,12Z,15Z)/18:0) (CHEBI:89420) is a phosphatidylcholine 36:4 (CHEBI:64520)
IUPAC Name 
trimethyl(2-{[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)azanium
Synonyms  Source
GPCho(18:4/18:0)HMDB
1-Stearidonoyl-2-stearoyl-sn-glycero-3-phosphocholineHMDB
GPCho(18:4w3/18:0)HMDB
PC aa C36:4HMDB
PC(18:4w3/18:0)HMDB
Phosphatidylcholine(18:4n3/18:0)HMDB
Manual XrefsDatabases
HMDB0008234HMDB
PHOSPHATIDYLCHOLINEMetaCyc
LecithinWikipedia
LMGP01011711LIPID MAPS
Citations