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CHEBI:188178 - PS(20:5(5Z,8Z,11Z,14Z,17Z)/21:0)

ChEBI IDCHEBI:188178
ChEBI NamePS(20:5(5Z,8Z,11Z,14Z,17Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H82NO10P
Net Charge0
Average Mass852.144
Monoisotopic Mass851.56763
SMILESCC/C=C\C/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/C47H82NO10P/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/h6,8,12,14,18,20,24,26,30,32,43-44H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-42,48H2,1-2H3,(H,51,52)(H,53,54)/b8-6-,14-12-,20-18-,26-24-,32-30-/t43-,44+/m1/s1
InChIKeySNRDUJXYZXCJSU-BIMFOYNESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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(20:5(5Z,8Z,11Z,14Z,17Z)/21:0) (CHEBI:188178) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-henicosanoyloxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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