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CHEBI:184149 - PS(18:3(9Z,12Z,15Z)/21:0)

Default Structure
ChEBI IDCHEBI:184149
ChEBI NamePS(18:3(9Z,12Z,15Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H82NO10P
Net Charge0
Average Mass828.122
Monoisotopic Mass827.56763
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H82NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-44(48)56-41(39-54-57(51,52)55-40-42(46)45(49)50)38-53-43(47)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,22,41-42H,3-5,7,9-11,13,15-17,19-21,23-40,46H2,1-2H3,(H,49,50)(H,51,52)/b8-6-,14-12-,22-18-/t41-,42+/m1/s1
InChIKeySFWTVMMRDDTVOA-PYSITTPQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
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(18:3(9Z,12Z,15Z)/21:0) (CHEBI:184149) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-henicosanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376311ChemSpider
LMGP03010419LIPID MAPS