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CHEBI:187404 - PS(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:187404
ChEBI NamePS(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80NO9P
Net Charge0
Average Mass822.118
Monoisotopic Mass821.55707
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C46H80NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-53-40-43(41-54-57(51,52)55-42-44(47)46(49)50)56-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,37,39,43-44H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-36,38,40-42,47H2,1-2H3,(H,49,50)(H,51,52)/b8-6-,14-12-,20-18-,26-24-,32-30-,39-37-/t43-,44+/m1/s1
InChIKeySWRKTDFSFZYBCZ-NXBILZHASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PS(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:187404) is a ether lipid (CHEBI:64611)
PS(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:187404) is a glycerophosphoserine (CHEBI:35766)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(Z)-icos-1-enoxy]propoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
LMGP03030080LIPID MAPS
113376736ChemSpider