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CHEBI:191345 - 20:3-18:3-PS

ChEBI IDCHEBI:191345
ChEBI Name20:3-18:3-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H73NO10P
Net Charge-1
Average Mass807.039
Monoisotopic Mass806.49776
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21,40-41H,3-4,9-10,15-16,20,22-39,45H2,1-2H3,(H,48,49)(H,50,51)/p-1/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-/t40-,41+/m1/s1
InChIKeyNGXDZRGVXNXWSW-XZLNVBFJSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
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)
20:3-18:3-PS (CHEBI:191345) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-azaniumyl-3-[[(2R)-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate