alpha-Glutamylthymine
Basic information
- CAS
76567-27-6- Standard SMILES
O=C(O)CC[C@H](NCc1c[nH]c(=O)[nH]c1=O)C(=O)O- InChIKey
XHGJNVZDOQDSDY-LURJTMIESA-N- Molecular formula
- C10H13N3O6
- Average molar mass
- 271.23 g/mol
- Monoisotopic mass
- 271.08043514
Overview
structure given in first source
Names & identifiers
- Preferred name
- alpha-Glutamylthymine
- IUPAC
- (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentanedioic acid
- English name
- alpha-glutamylthymine
- Molecular weight
- 0
Names & synonyms
alpha-Glutamylthymine76567-27-6L-Glutamic acid, N-((1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)methyl)-RefChem:111241(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentanedioic acid(S)-2-(((2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)amino)pentanedioic acidorb1698534DTXSID60997907((2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-L-glutamic acidAKOS030607145T29896N-[(2,4-Dihydroxypyrimidin-5-yl)methyl]glutamic acid
Show more names
N-[(2,4-Dihydroxypyrimidin-5-yl)methyl]-L-glutamic acid
Database identifiers
- CAS
76567-27-6- PubChem CID
- 196474
- DTXSID
DTXSID60997907
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 445
Chemistry & industry
Applications
Descriptionalpha-Glutamylthymine is a hypermodified base in DNA.
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Related reactions
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Compound notes
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