기본 정보
- 표준 SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
GYOZYWVXFNDGLU-XLPZGREQSA-N- 분자식
- C10H15N2O8P
- 평균 분자량
- 322.21 g/mol
- 단동위원소 질량
- 322.05660207
개요
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.
이름 및 식별자
- 우선 이름
- 5'-Thymidylic acid
- IUPAC
- [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
이름 및 동의어
dTMP5'-Thymidylic acidthymidine monophosphate365-07-1Thymidine 5'-monophosphate5-Methyl-dUMPThymidylateThymidine mononucleotideThymidine 5'-phosphateDeoxy TMPThymidine-5'-monophosphoric acidDeoxythymidine 5'-phosphate
이름 더 보기
Deoxythymidine monophosphate5'-TMPDeoxyribosylthymine monophosphateThymidine 5'-phosphoric acidTMP (nucleotide)Deoxythymidylic acidthymidine-5'-monophosphateThymidine 5'-(dihydrogen phosphate)
데이터베이스 식별자
- CAS
365-07-1- PubChem CID
- 9700
- DTXSID
DTXSID60904171- ChEMBL
CHEMBL394429- ChEBI
CHEBI:17013- UNII
- 43W3021X6C
- Nikkaji
- J150.344H
물성
구조 계산 물성
- XLogP
- -2.8
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 529
실험 및 물리화학적 성질
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]-
안전 및 규제
유해성 정보
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
화학 및 산업
약리 정보
Tissue LocationsFibroblasts
Cellular LocationsLysosome
Metabolite PathwaysBeta Ureidopropionase Deficiency
용도 및 제조
UsesA thymine nucleotide; [ChemIDplus]
관련 반응
26건
연결된 노트
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