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CHEBI:170698 - PS(22:4(7Z,10Z,13Z,16Z)/16:0)

ChEBI IDCHEBI:170698
ChEBI NamePS(22:4(7Z,10Z,13Z,16Z)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H78NO10P
Net Charge0
Average Mass812.079
Monoisotopic Mass811.53633
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)CCCCCCCCCCCCCCC
InChIInChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24-25,40-41H,3-10,12,14-16,19,22-23,26-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,18-17-,21-20-,25-24-/t40-,41+/m1/s1
InChIKeyVMDJNNAJXBQVIM-VRKCKBIJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
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)/16:0) (CHEBI:170698) 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-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74876234ChemSpider
HMDB0112791HMDB
LMGP03010793LIPID MAPS