CHEBI:184675 - CDP-DG(I-22:0/I-13:0)

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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-22:0/I-13:0)
ChEBI ID CHEBI:184675
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H87N3O15P2
Net Charge 0
Average Mass 996.167
Monoisotopic Mass 995.56124
InChI InChI=1S/C47H87N3O15P2/c1-37(2)28-24-20-16-13-11-9-7-5-6-8-10-12-14-18-22-26-30-42(51)60-34-39(63-43(52)31-27-23-19-15-17-21-25-29-38(3)4)35-61-66(56,57)65-67(58,59)62-36-40-44(53)45(54)46(64-40)50-33-32-41(48)49-47(50)55/h32-33,37-40,44-46,53-54H,5-31,34-36H2,1-4H3,(H,56,57)(H,58,59)(H2,48,49,55)/t39-,40-,44+,45?,46-/m1/s1
InChIKey YVQQUHBNFISPNE-ZTFDZGNXSA-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)CCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(O)=O)(O)=O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] 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-22:0/I-13:0) (CHEBI:184675) 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] 20-methylhenicosanoate
Manual Xrefs Databases
74878050 ChemSpider
HMDB0116337 HMDB
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