EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88914 - PC(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))

ChEBI IDCHEBI:88914
ChEBI NamePC(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
Stars
DownloadsMolfile
FormulaC46H82NO8P
Net Charge0
Average Mass808.135
Monoisotopic Mass807.57781
SMILES[H][C@@](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C46H82NO8P/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/h8,10,14,16-17,19-20,22,25-26,44H,6-7,9,11-13,15,18,21,23-24,27-43H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,26-25-/t44-/m1/s1
InChIKeyAKLWUKOTFBFPBC-RCKQDAJWSA-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(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) (CHEBI:88914) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
PC aa C38:5HMDB
GPCho(20:4w3/18:1w7)HMDB
1-Eicsoatetraenoyl-2-vaccenoyl-sn-glycero-3-phosphocholineHMDB
1-Eicsoic acidHMDB
1-EicsoateHMDB
Phosphatidylcholine(20:4w3/18:1w7)HMDB
Manual XrefsDatabases
LecithinWikipedia
PHOSPHATIDYLCHOLINEMetaCyc
HMDB0008465HMDB
Citations