THY64CSN – thymine-[6,4]-cytosine

Name
WID	THY64CSN
Name	thymine-[6,4]-cytosine
Traditional name	5-amino-5-methyl-6-(2-oxo-1H-pyrimidin-4-yl)-1,3-diazinane-2,4-dione
IUPAC name	5-amino-5-methyl-6-(2-oxo-1,2-dihydropyrimidin-4-yl)-1,3-diazinane-2,4-dione

Classification
Type	modified_nucleobase

Structure
Empirical formula (pH 7.5)	H₁₁C₉N₅O₃
SMILES (pH 7.5)	N1C=CC(=NC1=O)C2C(C)(C(NC(N2)=O)=O)N
Charge (pH 7.5)	0
Is hydrophobic	False
Molecular weight (Da)	237.21
van der Waals volume (pH 7.5; Å³ molecule^‑1)	194.50
pI	9.08
logP	-2.08
logD (pH 7.5)	-2.14

Function
Reaction participant	DNA photodimerization (2'-deoxythymidine-p-2'-deoxycytidine ==> 2'-deoxythymidine-[6,4]-2'-deoxycytidine; UV-B) CSN[c] + THY[c] + UVB_radiation[e] ⇒ THY64CSN[c] DNA photoisomerization (2'-deoxythymidine-[6,4]-2'-deoxycytidine ==> 2'-deoxythymidine-[6,4]-2'-deoxycytidine dewar product; UV-B) THY64CSN[c] + UVB_radiation[e] ⇒ THY64CSN_dewar[c]

Comments
Comments	Set to value in Serrano et al M. pneumoniae minimal media [PUB_0614].
References	Yus E, Maier T, Michalodimitrakis K, van Noort V, Yamada T, Chen WH, Wodke JA, Güell M, Martínez S, Bourgeois R, Kühner S, Raineri E, Letunic I, Kalinina OV, Rode M, Herrmann R, Gutiérrez-Gallego R, Russell RB, Gavin AC, Bork P, Serrano L. Impact of genome reduction on bacterial metabolism and its regulation. Science 326, 1263-8 (2009). WholeCell: PUB_0614, PubMed: 19965476

Metadata
Created	2012-10-01 15:07:08
Last updated	2012-10-01 15:12:34