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CHEBI:191333 - 18:2-18:3-PS

ChEBI IDCHEBI:191333
ChEBI Name18:2-18:3-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H71NO10P
Net Charge-1
Average Mass781.001
Monoisotopic Mass780.48211
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C42H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,38-39H,3-5,7,9-10,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/p-1/b8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39+/m1/s1
InChIKeyBUZGPRVYXXZJOM-LCWFRSHRSA-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)
18:2-18:3-PS (CHEBI:191333) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-azaniumyl-3-[[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate