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Record Information
Version2.0
Created at2021-01-06 06:51:35 UTC
Updated at2021-07-15 17:36:42 UTC
NP-MRD IDNP0021570
Secondary Accession NumbersNone
Natural Product Identification
Common NameTuberactinomycin N
Provided ByNPAtlasNPAtlas Logo
DescriptionTuberactinomycin N is also known as enviomycin. Tuberactinomycin N is found in Streptomyces, Streptomyces griseoverticillatus and Streptomyces griseoverticillatus var. tuberacticus N 6-130. Tuberactinomycin N was first documented in 1971 (PMID: 5158584). Based on a literature review very few articles have been published on Tuberactinomycin N.
Structure
Thumb
Synonyms
ValueSource
Tuberactinomycin-NMeSH
EnviomycinMeSH
(3S,4R)-3,6-Diamino-4-hydroxy-N-[(3S,6E,9R,12S,15S)-2,5,8,11,14-pentahydroxy-6-{[(C-hydroxycarbonimidoyl)amino]methylidene}-9,12-bis(hydroxymethyl)-3-[(4S)-2-imino-1,3-diazinan-4-yl]-1,4,7,10,13-pentaazacyclohexadeca-1,4,7,10,13-pentaen-15-yl]hexanimidateGenerator
Chemical FormulaC25H43N13O10
Average Mass685.7000 Da
Monoisotopic Mass685.32558 Da
IUPAC Name(3S,4R)-3,6-diamino-N-[(3S,6E,9R,12S,15S)-3-[(4S)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]-4-hydroxyhexanamide
Traditional Name(3S,4R)-3,6-diamino-N-[(3S,6E,9R,12S,15S)-3-[(4S)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]-4-hydroxyhexanamide
CAS Registry NumberNot Available
SMILES
NCC[C@@H](O)[C@@H](N)CC(=O)N[C@H]1CNC(=O)[C@@H](NC(=O)\C(NC(=O)[C@@H](CO)NC(=O)[C@H](CO)NC1=O)=C/NC(N)=O)[C@@H]1CCN=C(N)N1
InChI Identifier
InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/b13-7+/t10-,11-,12-,14+,15-,16+,18-/m0/s1
InChI KeyHPWIIERXAFODPP-ITQGCMRGSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
StreptomycesNPAtlas
Streptomyces griseoverticillatusLOTUS Database
Streptomyces griseoverticillatus var. tuberacticus N 6-130Bacteria
Chemical Taxonomy
ClassificationNot classified
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
logP-3.5ALOGPS
logP-12ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)8.71ChemAxon
pKa (Strongest Basic)10.52ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count15ChemAxon
Polar Surface Area392.86 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity161.87 m³·mol⁻¹ChemAxon
Polarizability66.84 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
NPAtlas IDNPA021196
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00018820
Chemspider ID78443179
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound139589204
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Ando T, Matsuura K, Izumi R, Noda T, Take T: Studies on tuberactinomycin. II. Isolation and properties of tuberactinomycin-N, a new tuberactinomycin group antibiotic. J Antibiot (Tokyo). 1971 Oct;24(10):680-6. [PubMed:5158584 ]