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CHEBI:230193 - PS(20:1(11Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))

ChEBI IDCHEBI:230193
ChEBI NamePS(20:1(11Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H80NO11P
Net Charge0
Average Mass878.138
Monoisotopic Mass877.54690
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C=C/C(O)C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C48H80NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-34-38-46(51)57-40-44(41-58-61(55,56)59-42-45(49)48(53)54)60-47(52)39-35-31-33-37-43(50)36-32-29-27-25-23-21-16-14-12-10-8-6-4-2/h6,8,12,14,17-18,21,23,27,29,31-33,36,43-45,50H,3-5,7,9-11,13,15-16,19-20,22,24-26,28,30,34-35,37-42,49H2,1-2H3,(H,53,54)(H,55,56)/b8-6-,14-12-,18-17-,23-21-,29-27-,33-31-,36-32-/t43?,44-,45+/m1/s1
InChIKeyDUKLFBFMEKALNJ-SVZALANUSA-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(20:1(11Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) (CHEBI:230193) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(4Z,8Z,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoyl]oxy-3-[(Z)-icos-11-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
HMDB0282227HMDB