UDP-N-acetyl-alpha-D-mannosamine

HCID 449043CAS 26575-17-7

기본 정보

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-ZYQOOJPVSA-N
분자식: C17H27N3O17P2
평균 분자량: 607.4 g/mol
단동위원소 질량: 607.08156966

개요

UDP-N-acetyl-alpha-D-mannosamine is a UDP-N-acetyl-D-mannosamine in which the anomeric centre of the pyranose fragment has alpha-configuration. It is a conjugate acid of an UDP-N-acetyl-alpha-D-mannosamine(2-).

이름 및 식별자

우선 이름: UDP-N-acetyl-alpha-D-mannosamine
IUPAC: [(2R,3S,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

이름 및 동의어

UDP-N-acetyl-alpha-D-mannosamineUDP-acetylmannosamineCHEBI:68678uridine 5'-[3-(2-acetamido-2-deoxy-alpha-D-mannopyranosyl) dihydrogen diphosphate]uridine 5'-(3-(2-acetamido-2-deoxy-alpha-D-mannopyranosyl) dihydrogen diphosphate)Uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-alpha-D-mannopyranosyl) esterRefChem:1100636UDP-ManNAcUDP-N-Acetylmannosamine26575-17-7uridine diphosphate N-acetylmannosamine[(2R,3S,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

이름 더 보기

(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)SCHEMBL29396726LFTYTUAZOPRMMI-ZYQOOJPVSA-NDTXSID701313724UD1MU158583C01170Q27137103

데이터베이스 식별자

CAS: 26575-17-7
PubChem CID: 449043
DTXSID: DTXSID701313724
ChEBI: CHEBI:68678
Nikkaji: J743.395F

물성

구조 계산 물성

XLogP: -6.6
극성 표면적: 300 Å²
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

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