EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186662 - PS(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:186662
ChEBI NamePS(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
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\C/C=C\CCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C46H80NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(48)56-43(41-54-57(51,52)55-42-44(47)46(49)50)40-53-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,43-44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-42,47H2,1-2H3,(H,49,50)(H,51,52)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-/t43-,44+/m1/s1
InChIKeyALTXAXVPSZVKDP-ZZTWLFPRSA-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(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:186662) is a ether lipid (CHEBI:64611)
PS(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:186662) is a glycerophosphoserine (CHEBI:35766)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-octadecoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
LMGP03020083LIPID MAPS
113376648ChemSpider