cyclobutane_dTMPdCMP – cyclobutane 2'-deoxythymidine monophosphate 2'-deoxycytidine monophosphate

Name
WID cyclobutane_dTMPdCMP View in model
Name cyclobutane 2'-deoxythymidine monophosphate 2'-deoxycytidine monophosphate View in model
Traditional name [5-(4-amino-8-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-4b-methyl-2,5,7-trioxo-4a,6,8a,8b-tetrahydro-1,3,6,8-tetraazabiphenylen-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
IUPAC name [5-(4-amino-8-{4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-4b-methyl-2,5,7-trioxo-1,2,4a,4b,5,6,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylen-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
 
Classification
Type modified_deoxyribonucleotide_monophosphate View in model
 
Structure
Empirical formula (pH 7.5) H25C19N5O15P2
SMILES (pH 7.5) CC12C(C3C1C(N)=NC(=O)N3C1CC(O)C(COP([O-])([O-])=O)O1)N(C1CC(O)C(COP([O-])([O-])=O)O1)C(=O)NC2=O
Charge (pH 7.5) -4
Is hydrophobic False View in model
Molecular weight (Da) 625.37 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)		 468.96
pI 1.03
logP -6.03
logD (pH 7.5) -10.83
 
Function
Reaction participant 5'-nucleotidase (cyclobutane 2'-deoxythymidine monophosphate 2'-deoxycytidine monophosphate)
[c]: cyclobutane_dTMPdCMP + (2) H2O ⇒ cyclobutane_dTdC + (2) PI		 View in model
 
Metadata
Created 2012-10-01 15:06:53
Last updated 2012-10-01 15:11:59