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CHEBI:230884 - PS(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/20:0)

ChEBI IDCHEBI:230884
ChEBI NamePS(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H82NO12P
Net Charge0
Average Mass872.131
Monoisotopic Mass871.55746
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H82NO12P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-29-35-45(51)59-42(38-57-60(54,55)58-39-43(47)46(52)53)37-56-44(50)36-30-34-41(49)33-28-25-24-27-32-40(48)31-26-22-10-8-6-4-2/h22,24-28,32-33,40-43,48-49H,3-21,23,29-31,34-39,47H2,1-2H3,(H,52,53)(H,54,55)/b25-24+,26-22-,32-27+,33-28-/t40-,41-,42-,43+/m1/s1
InChIKeySSXQPJJVUSBDPN-RJVMYLHBSA-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(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/20:0) (CHEBI:230884) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy-2-icosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
HMDB0282082HMDB