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

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neamine

	Properties	Image
MNX_ID	MNXM12436
reference	chebi:65076
formula	C₁₂H₃₀N₄O₆
global charge	4
mol weight	326.394
InChIKey	SYJXFKPQNSDJLI-HKEUSBCWSA-R
InChI	InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/p+4/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
SMILES	[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[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/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
SMILES (mnx)	[CH2:1]1[C@@H:3]([NH2:14])[C@H:7]([OH:17])[C@@H:10]([OH:20])[C@H:11]([O:22][C@@H:12]2[C@H:6]([NH2:16])[C@@H:9]([OH:19])[C@H:8]([OH:18])[C@@H:5]([CH2:2][NH2:13])[O:21]2)[C@H:4]1[NH2:15]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65076 chebi:65076 SYJXFKPQNSDJLI-HKEUSBCWSA-R	neamine (1R,2R,3S,4R,6S)-4,6-diazaniumyl-2,3-dihydroxycyclohexyl 2,6-diazaniumyl-2,6-dideoxy-alpha-D-glucopyranoside neamine(4+) neaminium tetracation neaminium(4+)
sabiork.compound:5581 sabiorkM:5581 kegg.compound:C01441 keggC:C01441 SYJXFKPQNSDJLI-HKEUSBCWSA-N SYJXFKPQNSDJLI-HKEUSBCWSA-R	Neamine Neomycin A
seed.compound:cpd01025 seedM:cpd01025 SYJXFKPQNSDJLI-HKEUSBCWSA-R	Neamine Neomycin A neamine neomycin A
CHEBI:7489 chebi:7489 SYJXFKPQNSDJLI-HKEUSBCWSA-N	neamine (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside 2-desoxy-4-O-(2,6-diamino-2,6-didesoxy-alpha-D-glucopyranosyl)-D-streptamin 4-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)-2-deoxy-D-streptamine Neamine Neomycin A
metacyc.compound:CPD-14137 metacycM:CPD-14137 SYJXFKPQNSDJLI-HKEUSBCWSA-R	neamine neomycin A
chebi:46591 chebi:481318 keggC:M_C01441 seedM:M_cpd01025	secondary/obsolete/fantasy identifier