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CHEBI:186838 - PS(20:3(8Z,11Z,14Z)/22:1(11Z))

ChEBI IDCHEBI:186838
ChEBI NamePS(20:3(8Z,11Z,14Z)/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H86NO10P
Net Charge0
Average Mass868.187
Monoisotopic Mass867.59893
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChIInChI=1S/C48H86NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(51)59-44(42-57-60(54,55)58-43-45(49)48(52)53)41-56-46(50)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20-22,25,27,44-45H,3-11,13,15-17,19,23-24,26,28-43,49H2,1-2H3,(H,52,53)(H,54,55)/b14-12-,20-18-,22-21-,27-25-/t44-,45+/m1/s1
InChIKeyOVZQXALPWJOEMM-NAZBITQTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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(20:3(8Z,11Z,14Z)/22:1(11Z)) (CHEBI:186838) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(Z)-docos-11-enoyl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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113376412ChemSpider
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