EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:90040 - PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:90040
ChEBI NamePS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
Stars
Last Modified8 March 2017
DownloadsMolfile
FormulaC46H80NO10P
Net Charge0
Average Mass838.117
Monoisotopic Mass837.55198
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(=O)(O)OC[C@]([H])(N)C(=O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C46H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,42-43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,28-26-/t42-,43+/m1/s1
InChIKeyPZEFRSYCROBXSJ-AOWFZNJASA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:90040) is a phosphatidylserine (18:0/22:5) (CHEBI:136502)
Synonyms  Source
PSer(18:0/22:5)HMDB
1-Stearoyl-2-docosapentaenoyl-sn-glycero-3-phosphoserineHMDB
PSer(18:0/22:5n3)HMDB
PSer(18:0/22:5w3)HMDB
Phosphatidylserine(18:0/22:5w3)HMDB
PS(18:0/22:5n3)HMDB
Manual XrefsDatabases
HMDB0010166HMDB
L-1-PHOSPHATIDYL-SERINEMetaCyc
LecithinWikipedia
Citations