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CHEBI:89600 - PC(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:89600
ChEBI NamePC(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
Stars
DownloadsMolfile
FormulaC46H82NO8P
Net Charge0
Average Mass808.135
Monoisotopic Mass807.57781
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24-25,27,31,33,44H,6-14,16,18-19,23,26,28-30,32,34-43H2,1-5H3/b17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
InChIKeyDCJXJVWGBOCAHZ-UZVREBQPSA-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(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) (CHEBI:89600) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
GPCho(18:2n6/20:3n9)HMDB
Phosphatidylcholine(18:2w6/20:3w9)HMDB
Phosphatidylcholine(18:2/20:3)HMDB
(2-{[(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
PC(18:2w6/20:3w9)HMDB
Phosphatidylcholine(38:5)HMDB
Manual XrefsDatabases
PHOSPHATIDYLCHOLINEMetaCyc
LecithinWikipedia
HMDB0008139HMDB
Citations