Indole-3-Glycerol Phosphate
Basic information
- Standard SMILES
O=P(O)(O)OC[C@@H](O)[C@@H](O)c1c[nH]c2ccccc12- InChIKey
NQEQTYPJSIEPHW-MNOVXSKESA-N- Molecular formula
- C11H14NO6P
- Average molar mass
- 287.21 g/mol
- Monoisotopic mass
- 287.05587416
Overview
(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-).
Names & identifiers
- Preferred name
- Indole-3-Glycerol Phosphate
- IUPAC
- [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate
Names & synonyms
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
Show more names
(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphateIGPC1-(3-Indolyl)-glycerol 3-phosphateSCHEMBL29598738CHEBI:51793DTXSID501344224DB04143NS00068528
Database identifiers
- PubChem CID
- 444150
- DTXSID
DTXSID501344224- ChEBI
CHEBI:51793- Nikkaji
- J2.634.853F
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Chemistry & industry
Pharmacology
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)
Related reactions
0 records
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Compound notes
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