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Nikkomycin J

CAT: 0013-GTR19198820-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198820-01Size:25 mg
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Description
Nikkomycin J is a nucleoside-peptide antibiotic produced by Streptomyces tendae. It acts as a potent inhibitor of chitin synthase, making it a valuable research tool for studying fungal and insect chitin biosynthesis in both in vitro and in vivo experimental models.
CAS Number
77368-59-3
Smiles
CC (C (N) C (=O) NC (C1OC (C (O) C1O) n1ccc (=O) [nH]c1=O) C (=O) NC (CCC (O) =O) C (O) =O) C (O) c1ccc (O) cn1
Molecular Formula
C25H32N6O13
Molecular Weight
624.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nikkomycin J

Nikkomycin J has been reported in Streptomyces tendae with data available.

CAS Number77368-59-3
PubChem CID173585
IUPAC Name2-[[2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
Molecular FormulaC25H32N6O13
Molecular Weight624.6
XLogP-6.3
Topological Polar Surface Area311
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Heavy Atom Count44
Formal Charge0
Complexity1150
SMILES
CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)NC(CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C25H32N6O13/c1-9(17(36)11-3-2-10(32)8-27-11)15(26)21(39)30-16(22(40)28-12(24(41)42)4-5-14(34)35)20-18(37)19(38)23(44-20)31-7-6-13(33)29-25(31)43/h2-3,6-9,12,15-20,23,32,36-38H,4-5,26H2,1H3,(H,28,40)(H,30,39)(H,34,35)(H,41,42)(H,29,33,43)
InChIKey
JGINXUGXMDDSJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nikkomycin J
CAS: 77368-59-3
CID: 173585
Formula: C25H32N6O13
MW: 624.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.6
XLogP3-6.3
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Exact Mass624.20273510
Monoisotopic Mass624.20273510
Topological Polar Surface Area311 Ų
Heavy Atom Count44
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-126873Nikkomycin J
HY-N14922Nikkomycin Lx
HY-126872Nikkomycin I
HY-126946Nikkomycin pseudo-J
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