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CHEBI:190181 - PS(22:2(13Z,16Z)/20:0)

ChEBI IDCHEBI:190181
ChEBI NamePS(22:2(13Z,16Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H90NO10P
Net Charge0
Average Mass872.219
Monoisotopic Mass871.63023
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H90NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(50)56-41-44(42-57-60(54,55)58-43-45(49)48(52)53)59-47(51)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,44-45H,3-10,12,14-16,18,20-43,49H2,1-2H3,(H,52,53)(H,54,55)/b13-11-,19-17-/t44-,45+/m1/s1
InChIKeyGDWNLTGJVNCRIZ-BWJAGKHMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Serum (BTO:0000133) MetaboLights (MTBLS4478)
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(22:2(13Z,16Z)/20:0) (CHEBI:190181) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-icosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74876216ChemSpider
HMDB0112773HMDB
LMGP03010775LIPID MAPS