7-Methylguanosine 5'-(dihydrogen diphosphate)
PubChem CID
135659051
Structure
Molecular Formula
Synonyms
- 7-Methyl-gdp
- 7-Methylguanosine 5'-diphosphate
- 7-methylguanosine 5'-diphosphate betaine
- 7-methylguanosine 5'-(dihydrogen diphosphate)
- 5'-O-{hydroxy[(hydroxyphosphinato)oxy]phosphoryl}-7-methylguanosine
Molecular Weight
457.23 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Dates
- Create:2019-01-16
- Modify:2025-01-18
Description
7-methylguanosine 5'-diphosphate is a guanosine 5'-phosphate that consists of guanosine 5'-diphosphate bearing a 7-methyl substituent and having a negatively charged diphosphate group. It is an ammonium betaine and a guanosine 5'-phosphate. It is functionally related to a GDP. It is a conjugate base of a 7-methylguanosine 5'-diphosphate(1+). It is a conjugate acid of a 7-methylguanosine 5'-diphosphate(2-).
Chemical Structure Depiction
Conformer generation failed at generation step
IUPAC Condensed
P-P-m7Gua-Ribf
Sequence
N
HELM
RNA1{[*P(=O)(O)OP(=O)(O)O |$_R2;;;;;;;;|]R([*n1c[n+](c2c1nc([nH]c2=O)N)C |$_R1;;;;;;;;;;;;$|])}$$$$
IUPAC
5'-diphospho-7-methyl-guanosine
[[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/t4-,6-,7-,10-/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
SBASPRRECYVBRF-KQYNXXCUSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
CN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)[O-])O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H17N5O11P2
Computed by PubChem 2.1 (PubChem release 2021.05.07)
- 7-methyl-GDP
- 7-methylguanosine 5'-diphosphate
- 7-methylguanosine diphosphate
- m(7)GDP
- RNA,delta messenger(7)GDP
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
457.23 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
-4.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
457.03998037 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
457.03998037 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
242 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
29
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
789
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
4
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
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)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- 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/Guanosine 5′-(trihydrogen diphosphate), 7-methyl-, inner salthttps://commonchemistry.cas.org/detail?cas_rn=26467-11-8
- ChEBI7-methylguanosine 5'-diphosphatehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63729
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- Metabolomics Workbench7-methylguanosine 5'-diphosphatehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=62926
- Wikidata7-methylguanosine 5'-diphosphatehttps://www.wikidata.org/wiki/Q27132760
- 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.html7-methylguanosine 5'-diphosphatehttps://www.ncbi.nlm.nih.gov/mesh/67111106
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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