CHEBI:53634 - neomycin C

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ChEBI Name neomycin C
ChEBI ID CHEBI:53634
Definition A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine C.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H46N6O13
Net Charge 0
Average Mass 614.64370
Monoisotopic Mass 614.31229
InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKey PGBHMTALBVVCIT-VZXHOKRSSA-N
SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing neomycin C (CHEBI:53634) is a aminoglycoside (CHEBI:47779)
neomycin C (CHEBI:53634) is conjugate base of neomycin C(6+) (CHEBI:65077)
Incoming neomycin (CHEBI:7507) has part neomycin C (CHEBI:53634)
neomycin C sulfate (CHEBI:53637) has part neomycin C (CHEBI:53634)
neomycin C(6+) (CHEBI:65077) is conjugate acid of neomycin C (CHEBI:53634)
IUPAC Name
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside
Manual Xref Database
C15652 KEGG COMPOUND
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Registry Numbers Types Sources
101620 Reaxys Registry Number Reaxys
66-86-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
13355298 PubMed citation Europe PMC
17206729 PubMed citation Europe PMC
19382560 PubMed citation Europe PMC
19713992 PubMed citation Europe PMC
4907002 PubMed citation Europe PMC
5137586 PubMed citation Europe PMC
804015 PubMed citation Europe PMC
849920 PubMed citation Europe PMC
9682160 PubMed citation Europe PMC
Last Modified
28 July 2014