linear dimeric GMP (PAMDB120142)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120142
Identification
Name: linear dimeric GMP
Description:Trianion of 5'-phosphoguanylyl(3'→5')guanosine.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • l-di-GMP
  • 5'pGpG
  • 5'-phosphoguanylyl(3'>5')guanosine
Chemical Formula: C20H23N10O15P2
Average Molecular Weight: 705.407
Monoisotopic Molecular Weight: 708.1054
InChI Key: ZEHOHLFQOXAZHX-MHARETSRSA-K
InChI:InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(43-17)1-42-47(39,40)45-12-6(2-41-46(36,37)38)44-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/p-3/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(OP([O-])(OC1(C(COP([O-])([O-])=O)OC(C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))=O)C4(OC(C(O)C(O)4)N6(C=NC5(C(=O)NC(N)=NC=56)))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as (3'-\u003e5')-dinucleotides. These are dinucleotides where the two bases are connected via a (3'-\u003e5')-phosphodiester linkage.
Kingdom Organic compounds
Super ClassNucleosides, nucleotides, and analogues
Class (3'-\u003e5')-dinucleotides and analogues
Sub Class(3'-\u003e5')-dinucleotides
Direct Parent (3'-\u003e5')-dinucleotides
Alternative Parents
Substituents
  • (3'-\u003e5')-dinucleotide
  • Purine ribonucleoside 3',5'-bisphosphate
  • Purine ribonucleoside bisphosphate
  • Purine ribonucleoside monophosphate
  • Ribonucleoside 3'-phosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-oxopurine
  • Monosaccharide phosphate
  • Hypoxanthine
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Dialkyl phosphate
  • Pyrimidone
  • Pyrimidine
  • Monosaccharide
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • N-substituted imidazole
  • Alkyl phosphate
  • Vinylogous amide
  • Imidazole
  • Heteroaromatic compound
  • Oxolane
  • Azole
  • Lactam
  • Secondary alcohol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organic nitrogen compound
  • Alcohol
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • a small molecule (L-DI-GMP)
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer25093482 PubChem
Molecular Weight705.407 g/molPubChem
XLogP3-AA-8 PubChem
Hydrogen Bond Donor Count7 PubChem
Hydrogen Bond Acceptor Count17 PubChem
Rotatable Bond Count9 PubChem
Exact Mass705.082 g/molPubChem
Monoisotopic Mass705.082 g/molPubChem
Topological Polar Surface Area381 A^2PubChem
Heavy Atom Count47 PubChem
Formal Charge-3 PubChem
Complexity1400 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count8 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
cyclic di-3',5'-guanylate + Water → Hydrogen ion + linear dimeric GMP
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI58754
    PUBCHEM25093482