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CHEBI:230137 - PS(22:2(13Z,16Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

ChEBI IDCHEBI:230137
ChEBI NamePS(22:2(13Z,16Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82NO12P
Net Charge0
Average Mass896.153
Monoisotopic Mass895.55746
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC
InChIInChI=1S/C48H82NO12P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-31-37-46(52)58-39-44(40-59-62(56,57)60-41-45(49)48(54)55)61-47(53)38-32-36-43(51)35-30-27-26-29-34-42(50)33-28-24-10-8-6-4-2/h11-12,14-15,24,26-30,34-35,42-45,50-51H,3-10,13,16-23,25,31-33,36-41,49H2,1-2H3,(H,54,55)(H,56,57)/b12-11-,15-14-,27-26+,28-24-,34-29+,35-30-/t42-,43-,44+,45-/m0/s1
InChIKeyKCLZSFVFYNHPLH-YKPLNWMYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (CHEBI:230137) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
HMDB0283120HMDB