Np mrd loader

Showing NP-Card for Cer(d20:0/22:2(6Z,13Z)) (NP0339573)

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Record Information
Version2.0
Created at2024-09-11 22:31:01 UTC
Updated at2024-09-11 22:31:01 UTC
NP-MRD IDNP0339573
Secondary Accession NumbersNone
Natural Product Identification
Common NameCer(d20:0/22:2(6Z,13Z))
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0339573 (Cer(d20:0/22:2(6Z,13Z)))


  Mrv0541 03031519452D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ga  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0339573 (Cer(d20:0/22:2(6Z,13Z)))

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3D SDF for NP0339573 (Cer(d20:0/22:2(6Z,13Z)))

  Mrv0541 03031519452D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ga  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0339573

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Ga]

> <INCHI_IDENTIFIER>
InChI=1S/Ga

> <INCHI_KEY>
GYHNNYVSQQEPJS-UHFFFAOYSA-N

> <FORMULA>
Ga

> <MOLECULAR_WEIGHT>
69.723

> <EXACT_MASS>
68.925574

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
gallane

> <JCHEM_LOGP>
0.0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
gallane

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0339573 (Cer(d20:0/22:2(6Z,13Z)))
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PDB for NP0339573 (Cer(d20:0/22:2(6Z,13Z)))
HEADER    PROTEIN                                 03-MAR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-MAR-15         0                                  
HETATM    1 Ga   UNK     0       0.000   0.000   0.000  0.00  0.00          Ga+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0339573 (Cer(d20:0/22:2(6Z,13Z)))
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SMILES for NP0339573 (Cer(d20:0/22:2(6Z,13Z)))
[Ga]
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INCHI for NP0339573 (Cer(d20:0/22:2(6Z,13Z)))
InChI=1S/Ga
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Synonyms
ValueSource
31GaChEBI
GaChEBI
GalioChEBI
Chemical FormulaGa
Average Mass69.7230 Da
Monoisotopic Mass68.92557 Da
IUPAC Namegallane
Traditional Namegallane
CAS Registry NumberNot Available
SMILES
[Ga]
InChI Identifier
InChI=1S/Ga
InChI KeyGYHNNYVSQQEPJS-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom.
KingdomInorganic compounds  
Super ClassHomogeneous metal compounds  
ClassHomogeneous post-transition metal compounds  
Sub ClassNot Available
Direct ParentHomogeneous post-transition metal compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous post-transition metal
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030029  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkGallium  
METLIN IDNot Available
PubChem Compound5360835  
PDB IDNot Available
ChEBI ID49631  
Good Scents IDNot Available
References
General ReferencesNot Available