우리딘5'-(이인산삼수소),모노-알파-d-글루코피라노실에스테르
Udp-Glucose
기본 정보
- CAS
133-89-1- 표준 SMILES
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1- InChIKey
HSCJRCZFDFQWRP-JZMIEXBBSA-N- 분자식
- C15H24N2O17P2
- 평균 분자량
- 566.3 g/mol
- 단동위원소 질량
- 566.0550213
개요
UDP-alpha-D-glucose is the alpha-anomer of UDP-alpha-D-glucose. It is used in nucleotide sugars metabolism. It has a role as a fundamental metabolite. It is a conjugate acid of an UDP-alpha-D-glucose(2-).
이름 및 식별자
- 우선 이름
- Udp-Glucose
- IUPAC
- [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
- 현지명
- 우리딘5'-(이인산삼수소),모노-알파-d-글루코피라노실에스테르
- 영어명
- Uridine 5'-(trihydrogen diphosphate), mono-alpha-d-glucopyranosyl ester
- 분자식
- C15H24N2O17P2
- 분자량
- 566.3
이름 및 동의어
UDP-glucoseURIDINE DIPHOSPHATE GLUCOSE133-89-1UDPGUridine diphosphoglucoseco-waldenaseUDPglucoseco-galactoisomeraseCogalactoisomeraseUDP glucoseDiphosphate Glucose, Uridine5'-Diphosphoglucose
이름 더 보기
우리딘5'-(이인산삼수소),모노-알파-d-글루코피라노실에스테르UDP-D-glucoseUDP-a-D-GlucoseUridine-5''-diphospho-D-glucoseUridine 5'-pyrophosphate, D-glucosyl esteruridine(5')dihydrogendiphospho(1)-alpha-D-glucose5-triphosphate hydrogen - β - D-glucopyranose uridineUridine 5'-diphosphoric acid β-(α-D-glucopyranosyl) ester
Uridine 5'-pyrophosphate glucose esterV50K1D7P4Y[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphateDTXSID00157902URIDINE-5'-DIPHOSPHOGLUCOSEUridine 5'-(trihydrogen diphosphate), P'-alpha-D-glucopyranosyl esterGlucose, UDPDiphosphoglucose, Uridine
물성
구조 계산 물성
- XLogP
- -6.3
- 극성 표면적
- 292 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 964
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section
209.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
210.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
216.4 Ų [M+K]+
물리화학적 성질
- 저장 조건
- -20 °C, · Store at -20°C, protect from light, stored under nitrogen
- 용해도
- Easily soluble (water), soluble (methanol), insoluble ((CH3)2CO, (C2H5)2O)
- 물리적 상태
- Solid
- 밀도
- 1.97 · 1.97±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.1 · 1.10±0.50(Predicted)
- 색상
- White to off-white
- 수용성
- 50 mg/mL · Water : ≥ 50 mg/mL
- InChIKey
- HSCJRCZFDFQWRP-JZMIEXBBSA-N
- SMILES
- O[C@@H]1[C@@H]([C@H](O[C@H]1N1C=CC(NC1=O)=O)COP(O)(=O)OP(O)(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 기존화학 물질
- KE-35247
화학 및 산업
약리 정보
Tissue LocationsLiver
Cellular LocationsEndoplasmic reticulum
Metabolite PathwaysCongenital disorder of glycosylation CDG-IId
응용 분야
개요An intermediate in the phase II reaction that results in the formation of glucose conjugates of xenobiotics which contain substituents such as hydroxyl, amino or sulfhydryl groups, the O-, N-, and S-glucosides, respectively. UDPG is formed from uridine triphosphate and glucose-1- phosphate in a reaction catalyzed by the enzyme UDPG pyro_x0002_phosphorylase. Glucoside formation is common in insects and plants, whereas animals other than insects utilize uridine diphosphate glucuronic acid to form glucuronides.
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