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CHEBI:168598 - CDP-DG(a-13:0/i-13:0)

ChEBI IDCHEBI:168598
ChEBI NameCDP-DG(a-13:0/i-13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H69N3O15P2
Net Charge0
Average Mass869.924
Monoisotopic Mass869.42039
SMILESCCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)[C@H]1O)OC(=O)CCCCCCCCCC(C)C
InChIInChI=1S/C38H69N3O15P2/c1-5-29(4)20-16-12-9-10-13-17-21-33(42)51-25-30(54-34(43)22-18-14-8-6-7-11-15-19-28(2)3)26-52-57(47,48)56-58(49,50)53-27-31-35(44)36(45)37(55-31)41-24-23-32(39)40-38(41)46/h23-24,28-31,35-37,44-45H,5-22,25-27H2,1-4H3,(H,47,48)(H,49,50)(H2,39,40,46)/t29?,30-,31-,35+,36?,37-/m1/s1
InChIKeyRHZHSHOLMRZQTQ-ASXHDNTPSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
CDP-DG(a-13:0/i-13:0) (CHEBI:168598) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(11-methyldodecanoyloxy)propyl] 10-methyldodecanoate
Manual XrefsDatabases
HMDB0116069HMDB
74877802ChemSpider