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CHEBI:186337 - PS(12:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:186337
ChEBI NamePS(12:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H64NO10P
Net Charge0
Average Mass725.901
Monoisotopic Mass725.42678
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C38H64NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,22,24,34-35H,3-4,6,8-10,12,14,17,20-21,23,25-33,39H2,1-2H3,(H,42,43)(H,44,45)/b7-5-,13-11-,16-15-,19-18-,24-22-/t34-,35+/m1/s1
InChIKeyCQYDNNORIADLEH-LSHFLDIJSA-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(12:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:186337) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-dodecanoyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376090ChemSpider
LMGP03010063LIPID MAPS