기본 정보
- CAS
528-04-1- 표준 SMILES
CC(=O)N[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
LFTYTUAZOPRMMI-UBDZBXRQSA-N- 분자식
- C17H27N3O17P2
- 평균 분자량
- 607.4 g/mol
- 단동위원소 질량
- 607.0815704
개요
Uridine diphosphate-N-acetylglucosamine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
이름 및 식별자
- 우선 이름
- Uridine Diphosphate N-Acetylglucosamine
- IUPAC
- [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
- 영어명
- [[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy
- 분자식
- C17H27N3O17P2
- 분자량
- 607.35
이름 및 동의어
UdpgnacUdp acetylglucosamineUridine diphosphate-N-acetylglucosamineUridine pyrophosphoacetylglucosamineAcetylglucosamine, UDPuridine diphosphate N-acetylglucosamineUridine diphospho-N-acetylglucosamineDTXSID10912327Uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl) ester((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl) (((2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl) hydrogen phosphate[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphatePyrophosphoacetylglucosamine, Uridine
이름 더 보기
Uridine Impurity 29Glutamic Acid Impurity 8UDP-N-acetyl-D-glucosamineUDP N-acetyl-alpha-D-glucosamineUridine 5'-(2-acetamido-2-deoxy-alpha-D-glucosyl pyrophosphate)
물성
구조 계산 물성
- XLogP
- -6.6
- 극성 표면적
- 300 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,080
실험 및 물리화학적 성질
Collision Cross Section210.5 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
물리화학적 성질
- 밀도
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.1 · 1.10±0.50(Predicted)
화학 및 산업
공급사3 곳
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
추가 설명
정의ChEBI: A UDP-amino sugar having N-acetyl-alpha-D-glucosamine as the amino sugar component.
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