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CHEBI:230945 - PS(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))

ChEBI IDCHEBI:230945
ChEBI NamePS(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80NO10P
Net Charge0
Average Mass838.117
Monoisotopic Mass837.55198
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C46H80NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,25,27,42-43H,3-10,12,15,18,20,23-24,26,28-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,16-14-,19-17-,22-21-,27-25-/t42-,43+/m1/s1
InChIKeyDIVRIDMVSIJVKN-PSFSCHPTSA-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(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)) (CHEBI:230945) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74876237ChemSpider
HMDB0112794HMDB