Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04672"
Predicate | Value (sorted: default) |
---|---|
rdfs:label |
"cyclic 3',5'-thymidine monophosphate"
|
rdf:type | |
drugbank:description |
"
experimental
This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.
Pyrimidine Nucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pyrimidones
Organic Phosphoric Acids
Organophosphate Esters
Hydropyrimidines
Dihydrofurans
Ethers
Polyamines
pyrimidone
hydropyrimidine
organic phosphate
pyrimidine
phosphoric acid ester
dihydrofuran
polyamine
ether
amine
organonitrogen compound
2',3'-dehydro-2',3'-deoxy-thymidine 5'-monophosphate
2',3'-dideoxy-2',3-didehydrothymidine 5'-monophosphate
3',5'-Cyclic dtmp
cTMP
Cyclic tmp
D4T-MP
d4TMP
logP
-0.98
ALOGPS
logS
-1.8
ALOGPS
Water Solubility
4.64e+00 g/l
ALOGPS
logP
-0.36
ChemAxon
IUPAC Name
{[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,5R)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
304.1932
ChemAxon
Monoisotopic Weight
304.046037292
ChemAxon
SMILES
[H][C@]1(COP(O)(O)=O)O[C@]([H])(C=C1)N1C=C(C)C(=O)NC1=O
ChemAxon
Molecular Formula
C10H13N2O7P
ChemAxon
InChI
InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
ChemAxon
InChIKey
InChIKey=XLPGURCDSRIXFL-JGVFFNPUSA-N
ChemAxon
Polar Surface Area (PSA)
125.4
ChemAxon
Refractivity
66.19
ChemAxon
Polarizability
25.93
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.24
ChemAxon
pKa (strongest basic)
-4.2
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
461278
PubChem Substance
46508608
ChemSpider
405848
PDB
D4M
BE0001515
5'(3')-deoxyribonucleotidase, mitochondrial
Human
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
5'(3')-deoxyribonucleotidase, mitochondrial
Involved in nucleotidase activity
Dephosphorylates specifically the 5' and 2'(3')- phosphates of uracil and thymine deoxyribonucleotides, and so protects mitochondrial DNA replication from excess dTTP. Has only marginal activity towards dIMP and dGMP
NT5M
17p11.2
Mitochondrion
None
8.12
25862.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:15769
GenAtlas
NT5M
GeneCards
NT5M
GenBank Gene Database
AJ277557
GenBank Protein Database
9408106
UniProtKB
Q9NPB1
UniProt Accession
NT5M_HUMAN
5',3'-nucleotidase, mitochondrial
5'(3')-deoxyribonucleotidase, mitochondrial precursor
Deoxy-5'-nucleotidase 2
dNT-2
EC 3.1.3.-
>5'(3')-deoxyribonucleotidase, mitochondrial precursor
MIRLGGWCARRLCSAAVPAGRRGAAGGLGLAGGRALRVLVDMDGVLADFEGGFLRKFRAR
FPDQPFIALEDRRGFWVSEQYGRLRPGLSEKAISIWESKNFFFELEPLPGAVEAVKEMAS
LQNTDVFICTSPIKMFKYCPYEKYAWVEKYFGPDFLEQIVLTRDKTVVSADLLIDDRPDI
TGAEPTPSWEHVLFTACHNQHLQLQPPRRRLHSWADDWKAILDSKRPC
>687 bp
ATGATCCGGCTGGGCGGCTGGTGTGCGCGGCGGCTCTGCAGCGCGGCGGTTCCCGCGGGG
CGGCGCGGGGCGGCGGGCGGGCTGGGCCTGGCGGGAGGCCGCGCCCTACGGGTGCTGGTG
GACATGGACGGCGTGCTGGCTGACTTCGAGGGCGGATTCCTCAGGAAGTTCCGCGCGCGC
TTTCCCGACCAGCCCTTCATCGCGCTGGAGGACCGGCGCGGCTTCTGGGTGTCGGAGCAG
TACGGCCGCCTGCGGCCAGGGCTGAGCGAGAAGGCCATCAGCATTTGGGAGTCAAAGAAT
TTCTTTTTTGAACTTGAGCCTCTGCCAGGGGCCGTGGAAGCTGTCAAGGAGATGGCCAGC
CTACAAAACACTGACGTCTTCATCTGCACAAGCCCCATCAAGATGTTCAAGTACTGTCCC
TATGAGAAGTATGCCTGGGTGGAGAAGTACTTTGGCCCTGACTTTCTGGAGCAGATTGTG
CTGACCAGAGACAAGACCGTGGTCTCTGCTGACCTTCTCATAGACGACCGGCCGGACATC
ACAGGGGCCGAGCCAACCCCCAGCTGGGAGCATGTCCTCTTCACCGCCTGCCACAACCAG
CACCTGCAGCTGCAGCCCCCCCGCCGCAGGCTGCACTCGTGGGCGGACGACTGGAAGGCC
ATTCTGGACAGCAAGCGGCCCTGCTGA
PF06941
NT5C
"
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All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object