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CHEBI:230327 - CDP-DG(i-14:0/18:2(10E,12Z)+=O(9))

ChEBI IDCHEBI:230327
ChEBI NameCDP-DG(i-14:0/18:2(10E,12Z)+=O(9))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H75N3O16P2
Net Charge0
Average Mass964.037
Monoisotopic Mass963.46226
SMILESCCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C44H75N3O16P2/c1-4-5-6-7-10-15-20-25-35(48)26-21-16-13-18-23-28-40(50)61-36(31-58-39(49)27-22-17-12-9-8-11-14-19-24-34(2)3)32-59-64(54,55)63-65(56,57)60-33-37-41(51)42(52)43(62-37)47-30-29-38(45)46-44(47)53/h10,15,20,25,29-30,34,36-37,41-43,51-52H,4-9,11-14,16-19,21-24,26-28,31-33H2,1-3H3,(H,54,55)(H,56,57)(H2,45,46,53)/b15-10-,25-20+/t36-,37-,41-,42-,43-/m1/s1
InChIKeySTLYWRSSIWQPRQ-CJJFKNMGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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(i-14:0/18:2(10E,12Z)+=O(9)) (CHEBI:230327) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
[(2R)-1-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-(12-methyltridecanoyloxy)propan-2-yl] (10E,12Z)-9-oxooctadeca-10,12-dienoate
Manual XrefsDatabases
HMDB0293516HMDB
117212719ChemSpider