基本情報
- 標準SMILES
O=P(O)(O)OC[C@@H](O)[C@@H](O)c1c[nH]c2ccccc12- InChIKey
NQEQTYPJSIEPHW-MNOVXSKESA-N- 分子式
- C11H14NO6P
- 平均分子量
- 287.21 g/mol
- 単同位体質量
- 287.05587416
概要
(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate is the (1S,2R)-diastereomer of 1-C-(indol-3-yl)glycerol 3-phosphate. It is a conjugate acid of a (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate(2-).
名称と識別子
- 優先名称
- Indole-3-Glycerol Phosphate
- IUPAC
- [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate
名称と別名
indole-3-glycerol phosphateindoleglycerol phosphate(3-Indolyl)-glycerol phosphate[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate((2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl) dihydrogen phosphateRefChem:7909761-(1H-Indol-3-yl)-1,2,3-propanetriol 3-(dihydrogen phosphate)((2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propoxy)phosphonic acid4220-97-7IGPSIndole-3-glycerophosphate(1S,2R)-1-C-(Indol-3-yl)glycerol 3-phosphate
名称をさらに表示
(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphateIGPC1-(3-Indolyl)-glycerol 3-phosphateSCHEMBL29598738CHEBI:51793DTXSID501344224DB04143NS00068528
データベース識別子
- PubChem CID
- 444150
- DTXSID
DTXSID501344224- ChEBI
CHEBI:51793- Nikkaji
- J2.634.853F
物性
構造計算による物性
- XLogP
- -1.2
- 極性表面積
- 123 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 348
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
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