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

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netilmycin

	Properties	Image
MNX_ID	MNXM739150
reference	chebi:7528
formula	C₂₁H₄₁N₅O₇
global charge	0
mol weight	475.587
InChIKey	ZBGPYVZLYBDXKO-HILBYHGXSA-N
InChI	InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)15(28)17(13)33-20-21(2,29)18(25-3)14(27)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20-,21-/m1/s1
SMILES	CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O

MNX internals

InChI (mnx)	InChI=1/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)15(28)17(13)33-20-21(2,29)18(25-3)14(27)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20-,21-/m1/s1
SMILES (mnx)	[CH3:1][CH2:4][NH:26][C@@H:13]1[CH2:7][C@H:12]([NH2:24])[C@@H:16]([O:32][C@@H:19]2[C@H:11]([NH2:23])[CH2:6][CH:5]=[C:10]([CH2:8][NH2:22])[O:31]2)[C@H:15]([OH:28])[C@H:17]1[O:33][C@@H:20]1[C@:21]([CH3:2])([OH:29])[C@H:18]([NH:25][CH3:3])[C@@H:14]([OH:27])[CH2:9][O:30]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7528 chebi:7528 ZBGPYVZLYBDXKO-HILBYHGXSA-N	netilmycin (1S,2S,3R,4S,6R)-4-amino-3-[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yloxy]-6-(ethylamino)-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside 1-N-Ethylsisomicin Netilmicin O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4))-2-deoxy-N(1)-ethyl-D-streptamine
sabiork.compound:9761 sabiorkM:9761 ZBGPYVZLYBDXKO-HILBYHGXSA-N	Netilmicin
hmdb:HMDB0015090 ZBGPYVZLYBDXKO-HILBYHGXSA-N	Netilmicin (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4-amino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-6-(ethylamino)-2-hydroxycyclohexyl]oxy}-3-methyl-4-(methylamino)oxane-3,5-diol 1-N-Ethylsisomicin Netilmycin O-3-Deoxy-4-C-methyl-3-(methylamino)-b-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-a-D-glycero-hex-4-enopyranosyl-(1-4))-2-deoxy-N(1)-ethyl-D-streptamine O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4))-2-deoxy-N(1)-ethyl-D-streptamine netilmicin sulfate
hmdb:HMDB15090	secondary/obsolete/fantasy identifier