CHEBI:58541 - 5-methyldeoxycytidine 5'-diphosphate(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-methyldeoxycytidine 5'-diphosphate(3−)
ChEBI ID CHEBI:58541
ChEBI ASCII Name 5-methyldeoxycytidine 5'-diphosphate(3-)
Definition Conjugate base of 5-methyldeoxycytidine 5'-(trihydrogen diphosphate).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H14N3O10P2
Net Charge -3
Average Mass 398.17980
Monoisotopic Mass 398.01709
InChI InChI=1S/C10H17N3O10P2/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H2,11,12,15)(H2,16,17,18)/p-3/t6-,7+,8+/m0/s1
InChIKey SHFOWZBOBJJZAP-XLPZGREQSA-K
SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)nc1N
ChEBI Ontology
Outgoing 5-methyldeoxycytidine 5'-diphosphate(3−) (CHEBI:58541) is a organophosphate oxoanion (CHEBI:58945)
5-methyldeoxycytidine 5'-diphosphate(3−) (CHEBI:58541) is conjugate base of 5-methyldeoxycytidine 5'-(trihydrogen diphosphate) (CHEBI:27964)
Incoming 5-methyldeoxycytidine 5'-(trihydrogen diphosphate) (CHEBI:27964) is conjugate acid of 5-methyldeoxycytidine 5'-diphosphate(3−) (CHEBI:58541)
IUPAC Name
2'-deoxy-5-methyl-5'-O-[(phosphonatooxy)phosphinato]cytidine
Synonym Source
5-methyldeoxycytidine diphosphate UniProt
Last Modified
13 November 2017