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CHEBI:192233 - PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))

ChEBI IDCHEBI:192233
ChEBI NamePS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H84NO10P
Net Charge0
Average Mass890.193
Monoisotopic Mass889.58328
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)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C50H84NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,35,37,46-47H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-34,36,38-45,51H2,1-2H3,(H,54,55)(H,56,57)/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-,37-35-/t46-,47+/m1/s1
InChIKeyHFCFZEWUFRIFQD-QSKZCHHESA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
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)/22:1(13Z)) (CHEBI:192233) 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-[(Z)-docos-13-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74876317ChemSpider
HMDB0112874HMDB