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CHEBI:230358 - PS(20:1(11Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))

Default Structure
ChEBI IDCHEBI:230358
ChEBI NamePS(20:1(11Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H80NO11P
Net Charge0
Average Mass878.138
Monoisotopic Mass877.54690
SMILESCC/C=C\CC(O)/C=C/C=C/C/C=C\C/C=C\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/c1-3-5-7-8-9-10-11-12-13-14-15-18-21-24-27-30-34-38-46(51)57-40-44(41-58-61(55,56)59-42-45(49)48(53)54)60-47(52)39-35-31-28-25-22-19-16-17-20-23-26-29-33-37-43(50)36-32-6-4-2/h6,12-13,17,19-20,22,26,28-29,31-33,37,43-45,50H,3-5,7-11,14-16,18,21,23-25,27,30,34-36,38-42,49H2,1-2H3,(H,53,54)(H,55,56)/b13-12-,20-17-,22-19-,29-26+,31-28-,32-6-,37-33+/t43?,44-,45+/m1/s1
InChIKeyOWAIOEZGWBNCFH-KRDAMSAASA-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,7Z,10Z,13E,15E,19Z)-OH(17)) (CHEBI:230358) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(4Z,7Z,10Z,13E,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoyl]oxy-3-[(Z)-icos-11-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
HMDB0282231HMDB