UDP-알파-D-은하이소듐염

Udp-Galactose

HCID 18068CAS 2956-16-3

기본 정보

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-ABVWGUQPSA-N
분자식: C15H24N2O17P2
평균 분자량: 566.3 g/mol
단동위원소 질량: 566.05502057

개요

UDP-alpha-D-galactose is a UDP-D-galactose in which the anomeric centre of the galactose moiety has alpha-configuration. It has a role as a mouse metabolite. It is a conjugate acid of an UDP-alpha-D-galactose(2-).

이름 및 식별자

우선 이름: Udp-Galactose
IUPAC: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
현지명: UDP-알파-D-은하이소듐염
영어명: UDP-D-galactose
분자식: C15H24N2O17P2
분자량: 566.3

이름 및 동의어

UDP-galactose2956-16-3Uridine 5'-diphosphogalactoseRefChem:1100635uridine diphosphate galactoseUdp galactoseUdpgalUDP-GalUDP-D-galactopyranoseUridinediphosphogalactoseUridine diphosphogalactoseGALACTOSE-URIDINE-5'-DIPHOSPHATE

이름 더 보기

UDP-알파-D-은하이소듐염UDP-GAL, NA2UDP-D-galactoseUDP-GALNAC, NA2UDP-a-D-galactoseUDPG DISODIUM SALTUDP-GAL DISODIUM SALT

Uridine pyrophosphogalactoseUDP-alpha-D-GalactoseUDP-galactopyranoseUridine diphosphategalactose[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphateUridinediphosphate galactoseO2HY4WY2W1CHEMBL439009

데이터베이스 식별자

CAS: 2956-16-3
PubChem CID: 18068
DTXSID: DTXSID60903962
ChEMBL: CHEMBL1743884、CHEMBL439009
ChEBI: CHEBI:67119
UNII: O2HY4WY2W1
Nikkaji: J247.696G

물성

구조 계산 물성

XLogP: -6.3
극성 표면적: 292 Å²
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

Chemical ClassesBiological Agents -> Nucleic Acids and Derivatives

DrugsPharmaceuticals -> Listed in ZINC15

Physical Description · 2건

Disodium salt: White powder; [Sigma-Aldrich MSDS]

Solid

Collision Cross Section · 2건

210.5 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

207.35 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

밀도: 1.97 · 1.97±0.1 g/cm3(Predicted)
저장 조건: 20 °C · −20°C
용해도: 2 O: · H2O: 50 mg/mL, 투명, 무색
산도 계수 (pKa): 1.1 · 1.10±0.50(Predicted)
InChIKey: HSCJRCZFDFQWRP-ABVWGUQPSA-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 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
F 고인화성물질: 10-21

화학 및 산업

약리 정보

Tissue LocationsLiver

Cellular LocationsCytoplasm

Metabolite PathwaysCongenital disorder of glycosylation CDG-IId

용도 및 제조

Uses · 1건

A nucleoside diphosphate sugar which can be epimerized into UDPglucose for entry into the mainstream of carbohydrate metabolism. Serves as a source of galactose in the synthesis of lipopolysaccharides, cerebrosides, and lactose. [ChemIDplus]