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CHEBI:187430 - PS(14:0/22:4(7Z,10Z,13Z,16Z))

Default Structure
ChEBI IDCHEBI:187430
ChEBI NamePS(14:0/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74NO10P
Net Charge0
Average Mass784.025
Monoisotopic Mass783.50503
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,38-39H,3-10,12,14-15,18,21,23,25-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,17-16-,20-19-,24-22-/t38-,39+/m1/s1
InChIKeyURCOCTDRHRVRRT-VAUMCCOVSA-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(14:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:187430) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875749ChemSpider
HMDB0112303HMDB
LMGP03010108LIPID MAPS