EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184233 - PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)

ChEBI IDCHEBI:184233
ChEBI NamePS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H84NO10P
Net Charge0
Average Mass878.182
Monoisotopic Mass877.58328
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)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H84NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-47(51)57-42-45(43-58-61(55,56)59-44-46(50)49(53)54)60-48(52)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,28,30,34,36,45-46H,3-4,6,8-10,12,14-16,18,20-22,24,26-27,29,31-33,35,37-44,50H2,1-2H3,(H,53,54)(H,55,56)/b7-5-,13-11-,19-17-,25-23-,30-28-,36-34-/t45-,46+/m1/s1
InChIKeyBBTUBQHEQYTODF-IEXOCICWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
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)/21:0) (CHEBI:184233) 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-henicosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376525ChemSpider
LMGP03010841LIPID MAPS