nodusmicin   Click here for help

GtoPdb Ligand ID: 11019

Synonyms: nodusmicin 1
Comment: Nodusmicin is an antibiotic produced by the soil-dwelling organism Saccharopolyspors kirsuta strain 367 [1]. It has activity against Gram-negative and Gram-positive bacteria.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 105.45
Molecular weight 422.23
XLogP -0.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CO[C@H]1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H]3[C@@H]([C@@H]([C@H]4O)C)O)/C(=C\[C@H]([C@H](OC1=O)[C@H](O)C)C)/C
Isomeric SMILES CO[C@H]1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H]3[C@@H]([C@@H]([C@H]4O)C)O)/C(=C\[C@H]([C@H](OC1=O)[C@H](O)C)C)/C
InChI InChI=1S/C23H34O7/c1-10-8-11(2)23-14(9-16(28-5)22(27)29-20(10)13(4)24)6-7-15-17(23)18(25)12(3)19(26)21(15)30-23/h6-8,10,12-21,24-26H,9H2,1-5H3/b11-8-/t10-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21-,23+/m1/s1
InChI Key LUCYVUUQBYQHOV-GFCOOTNGSA-N
Classification Click here for help
Compound class Natural product or derivative
Synonyms Click here for help
nodusmicin 1
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 1085
Other databases
CAS Registry No. 76265-48-0 (source: PubChem)
GtoPdb PubChem SID 405560460
PubChem CID 101643013
Search Google for chemical match using the InChIKey LUCYVUUQBYQHOV-GFCOOTNGSA-N
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UniChem Compound Search for chemical match using the InChIKey LUCYVUUQBYQHOV-GFCOOTNGSA-N
UniChem Connectivity Search for chemical match using the InChIKey LUCYVUUQBYQHOV-GFCOOTNGSA-N