Basic information
- CAS
85819-31-4- Standard SMILES
COC1/C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)CC(C)C)C(C)C(O)/C(C)=C\CCC2=CC(=O)C=C(NC(=O)C1)C2=O- InChIKey
JBNJKAJZJDHYFN-IWYUODTISA-N- Molecular formula
- C34H46N2O8
- Average molar mass
- 610.7 g/mol
- Monoisotopic mass
- 610.32541643
Overview
Ansatrienin A3 has been reported in Streptomyces seoulensis with data available.
Names & identifiers
- Preferred name
- D-Alanine, N-(3-methyl-1-oxobutyl)-, 11-ester with ansatrienol A
- IUPAC
- [(6E,8E,10E,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] 2-(3-methylbutanoylamino)propanoate
- English name
- ansatrienin A3
- Molecular formula
- C34H46N2O8
- Molecular weight
- 610.74
Names & synonyms
D-Alanine, N-(3-methyl-1-oxobutyl)-, 11-ester with ansatrienol Aansatrienin A3D-Alanine, N-(3-methyl-1-oxobutyl)-, (5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-6,8,10,16,20,23-hexaen-13-yl ester
Database identifiers
- CAS
85819-31-4- PubChem CID
- 129011802
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,250
Physicochemical properties
- Boiling point
- 812.8 · 812.8±65.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 10.19 · 10.19±0.70(Predicted)
Chemistry & industry
Applications
DescriptionAnsatrienin A3 is a minor component of the ansamycin complex produced by Streptomyces collinus.
UsesAnsatrienin A3, also known as Mycotrienin, is a minor component of the ansamycin complex produced by Streptomyces collinus.
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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