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CHEBI:191359 - 22:0-18:2-PS

ChEBI IDCHEBI:191359
ChEBI Name22:0-18:2-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H85NO10P
Net Charge-1
Average Mass843.157
Monoisotopic Mass842.59166
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C46H86NO10P/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/h12,14,18,23,42-43H,3-11,13,15-17,19-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/p-1/b14-12-,23-18-/t42-,43+/m1/s1
InChIKeySQHCYMMQODRUKO-RLOSBBMUSA-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)
22:0-18:2-PS (CHEBI:191359) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-azaniumyl-3-[[(2R)-3-docosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate