EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185005 - CDP-DG(16:1(9Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:185005
ChEBI NameCDP-DG(16:1(9Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H79N3O15P2
Net Charge0
Average Mass976.092
Monoisotopic Mass975.49864
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)[C@H]1O
InChIInChI=1S/C46H79N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h11,13-14,16-18,33-34,38-39,43-45,52-53H,3-10,12,15,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b13-11-,16-14-,18-17-/t38-,39-,43+,44?,45-/m1/s1
InChIKeyGDJQPHRBQRPEMB-KBEDRONISA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
CDP-DG(16:1(9Z)/18:2(9Z,12Z)) (CHEBI:185005) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
[(2R)-1-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
HMDB0115952HMDB
74877690ChemSpider