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CHEBI:191366 - 22:1-18:3-PS

ChEBI IDCHEBI:191366
ChEBI Name22:1-18:3-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H81NO10P
Net Charge-1
Average Mass839.125
Monoisotopic Mass838.56036
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C46H82NO10P/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/h6,8,12,14,17-19,23,42-43H,3-5,7,9-11,13,15-16,20-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/p-1/b8-6-,14-12-,19-17-,23-18-/t42-,43+/m1/s1
InChIKeyFNWGIGDCUCAAAJ-BQGXLUQKSA-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)
22:1-18:3-PS (CHEBI:191366) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-azaniumyl-3-[[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate