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CHEBI:187681 - PS(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:187681
ChEBI NamePS(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H70NO10P
Net Charge0
Average Mass792.004
Monoisotopic Mass791.47373
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C43H70NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19,21,23,27,29,39-40H,3-4,6,8-9,14-15,20,22,24-26,28,30-38,44H2,1-2H3,(H,47,48)(H,49,50)/b7-5-,12-10-,13-11-,18-16-,19-17-,23-21-,29-27-/t39-,40+/m1/s1
InChIKeyYUJYLOOQZVROCE-AFJGANRMSA-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(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:187681) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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