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CHEBI:184236 - PS(20:0/18:1(9Z))

Default Structure
ChEBI IDCHEBI:184236
ChEBI NamePS(20:0/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H84NO10P
Net Charge0
Average Mass818.127
Monoisotopic Mass817.58328
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C44H84NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,40-41H,3-17,19-20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/b21-18-/t40-,41+/m1/s1
InChIKeyOBVIJGGEHHPAMK-KQAFZYEMSA-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(20:0/18:1(9Z)) (CHEBI:184236) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-3-icosanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875961ChemSpider
HMDB0112518HMDB
LMGP03010951LIPID MAPS