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

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astromicin

	Properties	Image
MNX_ID	MNXM42894
reference	chebi:37923
formula	C₁₇H₃₅N₅O₆
global charge	0
mol weight	405.496
InChIKey	BIDUPMYXGFNAEJ-APGVDKLISA-N
InChI	InChI=1S/C17H35N5O6/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3/t7-,8+,9-,11-,12-,13-,14+,15+,16+,17+/m0/s1
SMILES	CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@H](O)[C@@H]1N(C)C(=O)CN

MNX internals

InChI (mnx)	InChI=1/C17H35N5O6/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3/t7-,8+,9-,11-,12-,13-,14+,15+,16+,17+/m0/s1
SMILES (mnx)	[CH3:1][C@@H:7]([C@@H:9]1[CH2:5][CH2:4][C@@H:8]([NH2:20])[C@@H:17]([O:28][C@@H:15]2[C@@H:11]([NH2:21])[C@H:13]([OH:24])[C@H:16]([O:26][CH3:3])[C@@H:12]([N:22]([CH3:2])[C:10]([CH2:6][NH2:18])=[O:23])[C@H:14]2[OH:25])[O:27]1)[NH2:19]

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:37923 chebi:37923 BIDUPMYXGFNAEJ-APGVDKLISA-N	astromicin 4-amino-1-((aminoacetyl)methylamino)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-6-O-methyl-L-chiro-inositol 4-amino-1-(2-amino-N-methylacetamido)-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-6-O-methyl-L-chiro-inositol ASTM Astromicin KW 1070 KW-1070 N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]tetrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylglycinamide XK 70-1 XK-70-1 antibiotic KW-1070 astromicina astromicine astromicinum astromycin fortimicin A
kegg.drug:D07470 keggD:D07470 BIDUPMYXGFNAEJ-APGVDKLISA-N	Astromicin (INN)
hmdb:HMDB0248678 BIDUPMYXGFNAEJ-UHFFFAOYSA-N	Astromicin 2-amino-N-(4-amino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2,5-dihydroxy-6-methoxycyclohexyl)-N-methylacetamide Astromycin sulfuric acid Astromycin sulphate Astromycin sulphuric acid
seed.compound:cpd17810 seedM:cpd17810 BIDUPMYXGFNAEJ-APGVDKLISA-R	Astromicin Fortimicin A
sabiork.compound:26456 sabiorkM:26456	Fortimicin A
kegg.compound:C17708 keggC:C17708 BIDUPMYXGFNAEJ-APGVDKLISA-N	Fortimicin A Astromicin
keggC:M_C17708 keggD:M_D07470 seedM:M_cpd17810	secondary/obsolete/fantasy identifier