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CHEBI:89107 - PC(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:89107
ChEBI NamePC(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
Stars
DownloadsMolfile
FormulaC46H80NO8P
Net Charge0
Average Mass806.119
Monoisotopic Mass805.56216
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)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24-26,29-32,44H,6-14,16,18-19,23,27-28,33-43H2,1-5H3/b17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1
InChIKeyJEFBNJKATIUJOC-JZSVRCITSA-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))
ChEBI Ontology
Outgoing Relation(s)
PC(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) (CHEBI:89107) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
LecithinHMDB
PC(20:3n9/18:3n6)HMDB
1-Meadoyl-2-g-linolenoyl-sn-glycero-3-phosphocholineHMDB
(2-{[(2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
GPCho(20:3n9/18:3n6)HMDB
Phosphatidylcholine(20:3/18:3)HMDB
Manual XrefsDatabases
HMDB0008370HMDB
PHOSPHATIDYLCHOLINEMetaCyc
LecithinWikipedia
Citations