CHEBI:187058 - CDP-DG(a-13:0/i-15:0)

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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(a-13:0/i-15:0)
ChEBI ID CHEBI:187058
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H73N3O15P2
Net Charge 0
Average Mass 897.978
Monoisotopic Mass 897.45169
InChI InChI=1S/C40H73N3O15P2/c1-5-31(4)22-18-14-11-12-15-19-23-35(44)53-27-32(56-36(45)24-20-16-10-8-6-7-9-13-17-21-30(2)3)28-54-59(49,50)58-60(51,52)55-29-33-37(46)38(47)39(57-33)43-26-25-34(41)42-40(43)48/h25-26,30-33,37-39,46-47H,5-24,27-29H2,1-4H3,(H,49,50)(H,51,52)(H2,41,42,48)/t31?,32-,33-,37+,38?,39-/m1/s1
InChIKey AXFXMDBCEVKIHQ-FOFBOHEMSA-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)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(CC)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(a-13:0/i-15:0) (CHEBI:187058) 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-methyldodecanoyloxy)propan-2-yl] 13-methyltetradecanoate
Manual Xrefs Databases
74877804 ChemSpider
HMDB0116071 HMDB
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