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CHEBI:184139 - PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:184139
ChEBI NamePS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H84NO10P
Net Charge0
Average Mass878.182
Monoisotopic Mass877.58328
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C49H84NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(52)60-45(43-58-61(55,56)59-44-46(50)49(53)54)42-57-47(51)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,35,37,45-46H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38-44,50H2,1-2H3,(H,53,54)(H,55,56)/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-/t45-,46+/m1/s1
InChIKeyAXNSCHNUPJRRCT-XAMIKVCJSA-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(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:184139) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-henicosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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