EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185429 - PA(P-16:0/18:2(9Z,12Z))

ChEBI IDCHEBI:185429
ChEBI NamePA(P-16:0/18:2(9Z,12Z))
Stars
Last Modified29 May 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H69O7P
Net Charge0
Average Mass656.926
Monoisotopic Mass656.47809
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,31,33,36H,3-10,12,14-16,18,20-30,32,34-35H2,1-2H3,(H2,39,40,41)/b13-11-,19-17-,33-31-/t36-/m1/s1
InChIKeyOLCTYLMZTXKGKH-BBNWHMLASA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PA(P-16:0/18:2(9Z,12Z)) (CHEBI:185429) is a monoacylglycerol phosphate (CHEBI:16961)
IUPAC Name 
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
C15647KEGG COMPOUND
HMDB0011155HMDB
LMGP10030088LIPID MAPS
24766521ChemSpider