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CHEBI:187834 - PS(20:4(5Z,8Z,11Z,14Z)/13:0)

ChEBI IDCHEBI:187834
ChEBI NamePS(20:4(5Z,8Z,11Z,14Z)/13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H68NO10P
Net Charge0
Average Mass741.944
Monoisotopic Mass741.45808
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCC
InChIInChI=1S/C39H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-37(41)47-32-35(33-48-51(45,46)49-34-36(40)39(43)44)50-38(42)31-29-27-25-22-14-12-10-8-6-4-2/h11,13,16-17,19-20,23-24,35-36H,3-10,12,14-15,18,21-22,25-34,40H2,1-2H3,(H,43,44)(H,45,46)/b13-11-,17-16-,20-19-,24-23-/t35-,36+/m1/s1
InChIKeyKIZRNTPNVJRDSQ-UPUOYBFOSA-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(20:4(5Z,8Z,11Z,14Z)/13:0) (CHEBI:187834) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-tridecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376414ChemSpider
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