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Kalimantacin A

CAT: 0804-HY-142124Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-142124Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Kalimantacin A is a potent antibiotic. Kalimantacin A shows antibacterial activity against staphylococcus including methicillin-resistant staphylococcus aureus (MRSA) [1][2].
CAS Number
174513-95-2
UNSPSC
12352211
Target
Antibiotic; Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/kalimantacin-a.html
Solubility
10 mM in DMSO
Smiles
O=C(O)/C=C(C)/CC(C)CC(CC/C=C/C=C/CC(C)CC(CC(O)CNC(C(C)C(OC(N)=O)C)=O)=O)=C
Molecular Formula
C30H48N2O7
Molecular Weight
548.71
References & Citations
[1]Tokunaga T, et al. Kalimantacin A, B, and C, novel antibiotics produced by Alcaligenes sp. YL-02632S. II. Physico-chemical properties and structure elucidation. J Antibiot (Tokyo) . 1996 Feb;49 (2) :140-4. |[2]Thistlethwaite IRG, et al. Elucidation of the relative and absolute stereochemistry of the kalimantacin/batumin antibiotics. Chem Sci. 2017 Sep 1;8 (9) :6196-6201.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Kalimantacin B

Kalimantacin B is a secondary carboxamide, a carbamate ester, a fatty acid derivative and an alpha,beta-unsaturated monocarboxylic acid. It has a role as an antimicrobial agent, an antibacterial agent and a bacterial metabolite.

CAS Number174513-95-2
PubChem CID6444314
IUPAC Name(2E,10E,12E)-20-[(3-carbamoyloxy-2-methylbutanoyl)amino]-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid
Molecular FormulaC30H48N2O7
Molecular Weight548.7
XLogP4.8
Topological Polar Surface Area156
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count21
Heavy Atom Count39
Formal Charge0
Complexity907
SMILES
CC(C/C=C/C=C/CCC(=C)CC(C)C/C(=C/C(=O)O)/C)CC(=O)CC(CNC(=O)C(C)C(C)OC(=O)N)O
InChI
InChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7+,11-9+,23-17+
InChIKey
GENAAYFYLGYPIQ-FFPWVZAVSA-N
Chemical Structure
2D Structure
2D structure of Kalimantacin B
CAS: 174513-95-2
CID: 6444314
Formula: C30H48N2O7
MW: 548.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.7
XLogP34.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count21
Exact Mass548.34615187
Monoisotopic Mass548.34615187
Topological Polar Surface Area156 Ų
Heavy Atom Count39
Formal Charge0
Complexity907
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19221419-01Kalimantacin A

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