CHEBI:186971 - CDP-DG(i-12:0/i-17:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CDP-DG(i-12:0/i-17:0)
ChEBI ID CHEBI:186971
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H75N3O15P2
Net Charge 0
Average Mass 912.005
Monoisotopic Mass 911.46734
InChI InChI=1S/C41H75N3O15P2/c1-31(2)22-18-14-10-8-6-5-7-9-11-17-21-25-37(46)57-33(28-54-36(45)24-20-16-13-12-15-19-23-32(3)4)29-55-60(50,51)59-61(52,53)56-30-34-38(47)39(48)40(58-34)44-27-26-35(42)43-41(44)49/h26-27,31-34,38-40,47-48H,5-25,28-30H2,1-4H3,(H,50,51)(H,52,53)(H2,42,43,49)/t33-,34-,38+,39?,40-/m1/s1
InChIKey DUCHHTZTSYWGSO-BGBHGZNASA-N
SMILES P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)C(O)[C@H]1O)(OP(OC[C@H](OC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C)(O)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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(i-12:0/i-17:0) (CHEBI:186971) 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-(10-methylundecanoyloxy)propan-2-yl] 15-methylhexadecanoate
Manual Xrefs Databases
74877875 ChemSpider
HMDB0116162 HMDB
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