MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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neomycin C

	Properties	Image
MNX_ID	MNXM12448
reference	chebi:65077
formula	C₂₃H₅₂N₆O₁₃
global charge	6
mol weight	620.698
InChIKey	PGBHMTALBVVCIT-VZXHOKRSSA-T
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/p+6/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
SMILES	[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]4[NH3+])[C@H]3O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH2:1]1[C@@H:5]([NH2:26])[C@H:12]([OH:31])[C@@H:20]([O:42][C@H:23]2[C@H:17]([OH:36])[C@H:19]([O:41][C@@H:22]3[C@H:11]([NH2:29])[C@@H:16]([OH:35])[C@H:14]([OH:33])[C@@H:8]([CH2:3][NH2:25])[O:38]3)[C@@H:9]([CH2:4][OH:30])[O:39]2)[C@H:18]([O:40][C@@H:21]2[C@H:10]([NH2:28])[C@@H:15]([OH:34])[C@H:13]([OH:32])[C@@H:7]([CH2:2][NH2:24])[O:37]2)[C@H:6]1[NH2:27]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65077 chebi:65077 PGBHMTALBVVCIT-VZXHOKRSSA-T	neomycin C (1R,2R,3S,4R,6S)-4,6-diammmonio-2-{[3-O-(2,6-diammmonio-2,6-dideoxy-alpha-D-glucopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diammmonio-2,6-dideoxy-alpha-D-glucopyranoside neomycin C(6+)
kegg.compound:C15652 keggC:C15652 PGBHMTALBVVCIT-VZXHOKRSSA-N	Neomycin C
seed.compound:cpd11297 seedM:cpd11297 PGBHMTALBVVCIT-VZXHOKRSSA-T	Neomycin C neomycin C
metacyc.compound:CPD-14141 metacycM:CPD-14141 PGBHMTALBVVCIT-VZXHOKRSSA-T	neomycin C
CHEBI:53634 chebi:53634 PGBHMTALBVVCIT-VZXHOKRSSA-N	neomycin C (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
keggC:M_C15652 seedM:M_cpd11297	secondary/obsolete/fantasy identifier