EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169850 - PS(P-18:0/17:2(9Z,12Z))

ChEBI IDCHEBI:169850
ChEBI NamePS(P-18:0/17:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H76NO9P
Net Charge0
Average Mass758.031
Monoisotopic Mass757.52577
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C41H76NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-48-35-38(36-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,32,34,38-39H,3-9,11,13-15,17,19-31,33,35-37,42H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,18-16-,34-32-/t38-,39+/m1/s1
InChIKeyCKAHCYHSTPHCJL-BCINCGEGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
PS(P-18:0/17:2(9Z,12Z)) (CHEBI:169850) is a ether lipid (CHEBI:64611)
PS(P-18:0/17:2(9Z,12Z)) (CHEBI:169850) is a glycerophosphoserine (CHEBI:35766)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
LMGP03030038LIPID MAPS