EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186085 - PS(O-20:0/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:186085
ChEBI NamePS(O-20:0/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H84NO9P
Net Charge0
Average Mass826.150
Monoisotopic Mass825.58837
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C46H84NO9P/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/h12,14,18,20,24,26,30,32,43-44H,3-11,13,15-17,19,21-23,25,27-29,31,33-42,47H2,1-2H3,(H,49,50)(H,51,52)/b14-12-,20-18-,26-24-,32-30-/t43-,44+/m1/s1
InChIKeyAOBCRVMACOIDIR-CQGPZNNBSA-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-20:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:186085) is a ether lipid (CHEBI:64611)
PS(O-20:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:186085) is a glycerophosphoserine (CHEBI:35766)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-icosoxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376628ChemSpider
LMGP03020063LIPID MAPS