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CHEBI:186072 - PS(22:4(7Z,10Z,13Z,16Z)/24:0)

Default Structure
ChEBI IDCHEBI:186072
ChEBI NamePS(22:4(7Z,10Z,13Z,16Z)/24:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H94NO10P
Net Charge0
Average Mass924.295
Monoisotopic Mass923.66153
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H94NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(55)63-48(46-61-64(58,59)62-47-49(53)52(56)57)45-60-50(54)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,48-49H,3-11,13,15-17,19,21-24,26,28-30,32,34-47,53H2,1-2H3,(H,56,57)(H,58,59)/b14-12-,20-18-,27-25-,33-31-/t48-,49+/m1/s1
InChIKeyGTOHROVBZXDEIN-ZPICSXNGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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(22:4(7Z,10Z,13Z,16Z)/24:0) (CHEBI:186072) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-tetracosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74876256ChemSpider
HMDB0112813HMDB