1-C-(Indol-3-yl)glycerol 3-phosphate
PubChem CID
799
Structure
Molecular Formula
Synonyms
- Indole-3-glycerophosphate
- 4220-97-7
- 1-C-(Indol-3-yl)glycerol 3-phosphate
- IGPS
- indoleglycerol phosphate
Molecular Weight
287.21 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2004-09-16
- Modify:2025-01-25
Description
1-C-(indol-3-yl)glycerol 3-phosphate is a member of sn-glycerol 3-phosphates. It is functionally related to a glycerol. It is a conjugate acid of a 1-C-(indol-3-yl)glycerol 3-phosphate(2-).
1-C-(indol-3-yl)glycerol 3-phosphate is a metabolite found in or produced by Saccharomyces cerevisiae.
See also: Indole-3-glycerol phosphate (annotation moved to).
Chemical Structure Depiction
[2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
NQEQTYPJSIEPHW-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C1=CC=C2C(=C1)C(=CN2)C(C(COP(=O)(O)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H14NO6P
Computed by PubChem 2.1 (PubChem release 2021.05.07)
- indole-3-glycerol phosphate
- indole-3-glycerophosphate
- indoleglycerol phosphate
- Indole-3-glycerophosphate
- 4220-97-7
- 1-C-(Indol-3-yl)glycerol 3-phosphate
- IGPS
- indoleglycerol phosphate
- 2,3-dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphate
- [2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate
- SCHEMBL2291738
- CHEBI:18299
- DTXSID70962363
- 1-(1H-Indol-3-yl)-1,2,3-propanetriol 3-(dihydrogen phosphate)
- c1-(3-indolyl)glycerol-3-phosphate
- 1-(Indol-3-yl)glycerol 3-phosphate
- Q27102978
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.21 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-1.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
287.05587416 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
287.05587416 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
123 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
348
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Indole-3-glycerol phosphate (annotation moved to)
Indicators and Reagents
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 and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NQEQTYPJSIEPHW-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Indole-3-glycerol phosphatehttps://commonchemistry.cas.org/detail?cas_rn=4220-97-7
- ChemIDplusIndoleglycerol phosphatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0004220977ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2,3-Dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphatehttps://comptox.epa.gov/dashboard/DTXSID70962363CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- ChEBI1-C-(indol-3-yl)glycerol 3-phosphatehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18299
- Yeast Metabolome Database (YMDB)1-C-(indol-3-yl)glycerol 3-phosphatehttps://www.ymdb.ca/compounds/YMDB00709
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- Wikidata1-C-(indol-3-yl)glycerol 3-phosphatehttps://www.wikidata.org/wiki/Q27102978
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlindoleglycerol phosphatehttps://www.ncbi.nlm.nih.gov/mesh/67008117Indicators and Reagentshttps://www.ncbi.nlm.nih.gov/mesh/68007202
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 394060133https://pubchem.ncbi.nlm.nih.gov/substance/394060133
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