CHEBI:230219 - CDP-DG(a-21:0/18:1(12Z)-2OH(9,10))

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ChEBI Name CDP-DG(a-21:0/18:1(12Z)-2OH(9,10))
ChEBI ID CHEBI:230219
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H93N3O17P2
Net Charge 0
Average Mass 1082.257
Monoisotopic Mass 1081.59802
InChI InChI=1S/C51H93N3O17P2/c1-4-6-7-8-21-26-31-42(55)43(56)32-27-22-19-24-29-34-47(58)69-41(37-66-46(57)33-28-23-18-16-14-12-10-9-11-13-15-17-20-25-30-40(3)5-2)38-67-72(62,63)71-73(64,65)68-39-44-48(59)49(60)50(70-44)54-36-35-45(52)53-51(54)61/h21,26,35-36,40-44,48-50,55-56,59-60H,4-20,22-25,27-34,37-39H2,1-3H3,(H,62,63)(H,64,65)(H2,52,53,61)/b26-21-/t40?,41-,42+,43+,44-,48-,49-,50-/m1/s1
InChIKey SLJSZWHUBRCPFY-LZMSDMGYSA-N
SMILES P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)[C@H](O)[C@@H]1O)(OP(OC[C@H](OC(=O)CCCCCCC[C@H](O)[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC(CC)C)(O)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via CDP-diacylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via CDP-diacylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing CDP-DG(a-21:0/18:1(12Z)-2OH(9,10)) (CHEBI:230219) 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-[(Z,9S,10S)-9,10-dihydroxyoctadec-12-enoyl]oxypropyl] 18-methylicosanoate
Manual Xrefs Databases
117212330 ChemSpider
HMDB0293105 HMDB
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