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CHEBI:187693 - PS(20:4(5Z,8Z,11Z,14Z)/21:0)

ChEBI IDCHEBI:187693
ChEBI NamePS(20:4(5Z,8Z,11Z,14Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H84NO10P
Net Charge0
Average Mass854.160
Monoisotopic Mass853.58328
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)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C47H84NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-46(50)58-43(41-56-59(53,54)57-42-44(48)47(51)52)40-55-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,43-44H,3-11,13,15-17,19,21-23,25,27-29,31,33-42,48H2,1-2H3,(H,51,52)(H,53,54)/b14-12-,20-18-,26-24-,32-30-/t43-,44+/m1/s1
InChIKeyYACAHTGMGBCAQA-CQGPZNNBSA-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)/21:0) (CHEBI:187693) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-henicosanoyloxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376421ChemSpider
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