EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184165 - PS(22:2(13Z,16Z)/0:0)

ChEBI IDCHEBI:184165
ChEBI NamePS(22:2(13Z,16Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H52NO9P
Net Charge0
Average Mass577.696
Monoisotopic Mass577.33797
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C28H52NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)36-22-25(30)23-37-39(34,35)38-24-26(29)28(32)33/h6-7,9-10,25-26,30H,2-5,8,11-24,29H2,1H3,(H,32,33)(H,34,35)/b7-6-,10-9-/t25-,26+/m1/s1
InChIKeyDSUKBLPUEMZQIX-ARCRADLVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
PS(22:2(13Z,16Z)/0:0) (CHEBI:184165) is a 1-acyl-sn-glycero-3-phosphoserine (CHEBI:52603)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
LMGP03050024LIPID MAPS
113376760ChemSpider