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CHEBI:230199 - PS(22:1(13Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

ChEBI IDCHEBI:230199
ChEBI NamePS(22:1(13Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H84NO12P
Net Charge0
Average Mass922.191
Monoisotopic Mass921.57311
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C50H84NO12P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-33-39-48(54)60-41-46(42-61-64(58,59)62-43-47(51)50(56)57)63-49(55)40-34-26-23-22-24-30-36-45(53)38-32-28-27-31-37-44(52)35-29-6-4-2/h6,12-13,23-24,26-32,37-38,44-47,52-53H,3-5,7-11,14-22,25,33-36,39-43,51H2,1-2H3,(H,56,57)(H,58,59)/b13-12-,26-23-,28-27-,29-6-,30-24-,37-31+,38-32+/t44-,45+,46+,47-/m0/s1
InChIKeyPTQPWVPBFYHTHI-UJCCFFTRSA-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(22:1(13Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) (CHEBI:230199) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy-3-[(Z)-docos-13-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
HMDB0283064HMDB