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CHEBI:187742 - PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)

ChEBI IDCHEBI:187742
ChEBI NamePS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70NO10P
Net Charge0
Average Mass779.993
Monoisotopic Mass779.47373
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C42H70NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,27,29,38-39H,3-4,6,8-10,12,14-15,18,21,23,25-26,28,30-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,17-16-,20-19-,24-22-,29-27-/t38-,39+/m1/s1
InChIKeyDABYYQOIKAUMAY-XUDFWVPRSA-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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0) (CHEBI:187742) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
35032527ChemSpider
HMDB0012440HMDB
LMGP03010819LIPID MAPS