hygromycin B (CHEBI:16976)

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CHEBI:16976 - hygromycin B

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ChEBI ID	CHEBI:16976
ChEBI Name	hygromycin B
Stars
Secondary ChEBI IDs	CHEBI:5821, CHEBI:14426, CHEBI:24752, CHEBI:43202
Last Modified	3 August 2014
Downloads	Molfile

Formula	C20H37N3O13
Net Charge	0
Average Mass	527.524
Monoisotopic Mass	527.23264
SMILES	CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@]4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O
InChI	InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1
InChIKey	GRRNUXAQVGOGFE-NZSRVPFOSA-N

Roles Classification

Biological Role:	antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:	anthelminthic drug Substance intended to kill parasitic worms (helminths).

ChEBI Ontology

Outgoing Relation(s)
	hygromycin B (CHEBI:16976) has role anthelminthic drug (CHEBI:35443)
	hygromycin B (CHEBI:16976) is a hygromycin (CHEBI:24753)
	hygromycin B (CHEBI:16976) is a ortho ester (CHEBI:71989)
	hygromycin B (CHEBI:16976) is conjugate base of hygromycin B(3+) (CHEBI:57971)
Incoming Relation(s)
	4-O-phosphohygromycin B (CHEBI:52138) has functional parent hygromycin B (CHEBI:16976)
	hygromycin B(3+) (CHEBI:57971) is conjugate acid of hygromycin B (CHEBI:16976)

IUPAC Name
(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1→2-3)-β-D-talopyranoside

Synonyms	Source
Hygromycin B	KEGG COMPOUND
Antibiotic A-396-II	KEGG COMPOUND
O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1→2-3)-O-β-D-talopyranosyl-(1→5)-2-deoxy-N³-methyl-D-streptamine	ChEBI
HYGROMYCIN B	PDBeChem

Manual Xrefs	Databases
C01925	KEGG COMPOUND
HYG	PDBeChem

Registry Numbers	Sources
Beilstein:6755837	Beilstein
CAS:31282-04-9	KEGG COMPOUND
CAS:31282-04-9	ChemIDplus