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CHEBI:230828 - CDP-DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:2(11Z,14Z))

ChEBI IDCHEBI:230828
ChEBI NameCDP-DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H83N3O18P2
Net Charge0
Average Mass1100.187
Monoisotopic Mass1099.51469
SMILESCC/C=C\C[C@@H](O)/C=C/C=C/C=C\C=C/[C@H](O)[C@@H](O)CCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C52H83N3O18P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-34-48(60)71-42(38-68-47(59)35-29-33-44(58)43(57)32-27-23-21-20-22-26-31-41(56)30-25-6-4-2)39-69-74(64,65)73-75(66,67)70-40-45-49(61)50(62)51(72-45)55-37-36-46(53)54-52(55)63/h6,9-10,12-13,20-23,25-27,31-32,36-37,41-45,49-51,56-58,61-62H,3-5,7-8,11,14-19,24,28-30,33-35,38-40H2,1-2H3,(H,64,65)(H,66,67)(H2,53,54,63)/b10-9-,13-12-,22-20+,23-21-,25-6-,31-26+,32-27-/t41-,42-,43+,44+,45-,49-,50-,51-/m1/s1
InChIKeyNRABCGXTHSCHNB-YUGJIZSXSA-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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:2(11Z,14Z)) (CHEBI:230828) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
[(2R)-3-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
Manual XrefsDatabases
HMDB0291874HMDB
117211157ChemSpider