Grundinformationen
- Standard-SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
GYOZYWVXFNDGLU-XLPZGREQSA-N- Summenformel
- C10H15N2O8P
- Durchschnittliche Molmasse
- 322,21 g/mol
- Monoisotopische Masse
- 322,05660207
Überblick
DTMP is the neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate). It has a role as a fundamental metabolite. It is a conjugate acid of a dTMP(-). It is an enantiomer of a 1-(2-deoxy-5-O-phosphono-beta-L-ribofuranosyl)thymine.
Namen und Bezeichner
- Bevorzugter Name
- 5'-Thymidylic acid
- IUPAC
- [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Namen und Synonyme
dTMP5'-Thymidylic acidthymidine monophosphate365-07-1Thymidine 5'-monophosphate5-Methyl-dUMPThymidylateThymidine mononucleotideThymidine 5'-phosphateDeoxy TMPThymidine-5'-monophosphoric acidDeoxythymidine 5'-phosphate
Weitere Namen anzeigen
Deoxythymidine monophosphate5'-TMPDeoxyribosylthymine monophosphateThymidine 5'-phosphoric acidTMP (nucleotide)Deoxythymidylic acidthymidine-5'-monophosphateThymidine 5'-(dihydrogen phosphate)
Datenbank-Bezeichner
- CAS
365-07-1- PubChem CID
- 9700
- DTXSID
DTXSID60904171- ChEMBL
CHEMBL394429- ChEBI
CHEBI:17013- UNII
- 43W3021X6C
- Nikkaji
- J150.344H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,8
- Polarare Oberfläche (TPSA)
- 146 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 529
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Nucleic Acids and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
Physical Description
Solid; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section
163.84 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
173.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
170 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
167.7 Ų [M-2H+Na]-
Sicherheit und Regulatorisches
Gefahrenhinweise
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsFibroblasts
Cellular LocationsLysosome
Metabolite PathwaysBeta Ureidopropionase Deficiency
Verwendung und Herstellung
UsesA thymine nucleotide; [ChemIDplus]
Zugehörige Reaktionen
26
Verknüpfte Notizen
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