Np mrd loader

Showing NP-Card for Nodulapeptin A (NP0072274)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2022-04-28 17:38:03 UTC
Updated at2022-04-28 17:38:03 UTC
NP-MRD IDNP0072274
Secondary Accession NumbersNone
Natural Product Identification
Common NameNodulapeptin A
Description(2S,3S)-3-methyl-2-({[(3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-12-(2-methanesulfonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-C-hydroxycarbonimidoyl}amino)pentanoic acid belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. Nodulapeptin A is found in Nodularia spumigena AV1. Based on a literature review very few articles have been published on (2S,3S)-3-methyl-2-({[(3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-12-(2-methanesulfonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-C-hydroxycarbonimidoyl}amino)pentanoic acid.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0072274 (Nodulapeptin A)

Download
3D MOL for NP0072274 (Nodulapeptin A)
Download
3D SDF for NP0072274 (Nodulapeptin A)
Download
3D-SDF for NP0072274 (Nodulapeptin A)
Download
PDB for NP0072274 (Nodulapeptin A)
Download
3D PDB for NP0072274 (Nodulapeptin A)
Download
SMILES for NP0072274 (Nodulapeptin A)
Download
INCHI for NP0072274 (Nodulapeptin A)
Download
View in JSmol
Synonyms
ValueSource
(2S,3S)-3-Methyl-2-({[(3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-12-(2-methanesulfonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-C-hydroxycarbonimidoyl}amino)pentanoateGenerator
(2S,3S)-3-Methyl-2-({[(3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-12-(2-methanesulphonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-C-hydroxycarbonimidoyl}amino)pentanoateGenerator
(2S,3S)-3-Methyl-2-({[(3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-12-(2-methanesulphonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-C-hydroxycarbonimidoyl}amino)pentanoic acidGenerator
Chemical FormulaC45H65N7O12S
Average Mass928.1100 Da
Monoisotopic Mass927.44119 Da
IUPAC Name(2S,3S)-2-({[(3S,6S,9S,12S,15R)-6-[2-(4-hydroxyphenyl)ethyl]-12-(2-methanesulfonylethyl)-7-methyl-2,5,8,11,14-pentaoxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadecan-15-yl]carbamoyl}amino)-3-methylpentanoic acid
Traditional Name(2S,3S)-2-({[(3S,6S,9S,12S,15R)-6-[2-(4-hydroxyphenyl)ethyl]-12-(2-methanesulfonylethyl)-7-methyl-2,5,8,11,14-pentaoxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadecan-15-yl]carbamoyl}amino)-3-methylpentanoic acid
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
Not Available
InChI KeyYTPAHVTZZQJJCC-YUVTWWCPSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Nodularia spumigena AV1Bacteria
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone.
KingdomOrganic compounds  
Super ClassOrganic acids and derivatives  
ClassCarboxylic acids and derivatives  
Sub ClassAmino acids, peptides, and analogues  
Direct ParentCyclic peptides  
Alternative Parents
Substituents
  • Cyclic alpha peptide
    • 

  • Isoleucine or derivatives
    • 

  • Macrolactam
    • 

  • Alpha-amino acid or derivatives
    • 

  • 1-hydroxy-2-unsubstituted benzenoid
    • 

  • Phenol
    • 

  • Benzenoid
    • 

  • Monocyclic benzene moiety
    • 

  • Cyclic carboximidic acid
    • 

  • Tertiary carboxylic acid amide
    • 

  • Sulfonyl
    • 

  • Sulfone
    • 

  • Lactam
    • 

  • Ketone
    • 

  • Isourea
    • 

  • Carboxamide group
    • 

  • Azacycle
    • 

  • Organoheterocyclic compound
    • 

  • Organic 1,3-dipolar compound
    • 

  • Propargyl-type 1,3-dipolar organic compound
    • 

  • Carboximidamide
    • 

  • Polyol
    • 

  • Monocarboxylic acid or derivatives
    • 

  • Carboxylic acid
    • 

  • Carboximidic acid derivative
    • 

  • Organic nitrogen compound
    • 

  • Organic oxygen compound
    • 

  • Organopnictogen compound
    • 

  • Organic oxide
    • 

  • Hydrocarbon derivative
    • 

  • Organosulfur compound
    • 

  • Organooxygen compound
    • 

  • Organonitrogen compound
    • 

  • Carbonyl group
    • 

  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound163106784  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available