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CHEBI:89125 - PC(20:3(5Z,8Z,11Z)/16:1(9Z))

ChEBI IDCHEBI:89125
ChEBI NamePC(20:3(5Z,8Z,11Z)/16:1(9Z))
Stars
DownloadsMolfile
FormulaC44H80NO8P
Net Charge0
Average Mass782.097
Monoisotopic Mass781.56216
SMILES[H][C@@](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h17,19-21,23,25,28,30,42H,6-16,18,22,24,26-27,29,31-41H2,1-5H3/b19-17-,21-20-,25-23-,30-28-/t42-/m1/s1
InChIKeyVRXRAEQYIWJLSH-OCTHSLKYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
PC(20:3(5Z,8Z,11Z)/16:1(9Z)) (CHEBI:89125) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
(2-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
PC(20:3/16:1)HMDB
Phosphatidylcholine(20:3n9/16:1n7)HMDB
Phosphatidylcholine(20:3w9/16:1w7)HMDB
PC aa C36:4HMDB
GPCho(20:3/16:1)HMDB
Manual XrefsDatabases
HMDB0008365HMDB
LecithinWikipedia
PHOSPHATIDYLCHOLINEMetaCyc
Citations