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

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paromamine

	Properties	Image
MNX_ID	MNXM12586
reference	chebi:65015
formula	C₁₂H₂₈N₃O₇
global charge	3
mol weight	326.37
InChIKey	JGSMDVGTXBPWIM-HKEUSBCWSA-Q
InChI	InChI=1S/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/p+3/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
SMILES	[NH3+][C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])O[C@H](CO)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
SMILES (mnx)	[CH2:1]1[C@@H:3]([NH2:13])[C@H:7]([OH:17])[C@@H:10]([OH:20])[C@H:11]([O:22][C@@H:12]2[C@H:6]([NH2:15])[C@@H:9]([OH:19])[C@H:8]([OH:18])[C@@H:5]([CH2:2][OH:16])[O:21]2)[C@H:4]1[NH2:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65015 chebi:65015 JGSMDVGTXBPWIM-HKEUSBCWSA-Q	paromamine (1R,2R,3S,4R,6S)-4,6-diammonio-2,3-dihydroxycyclohexyl 2-ammonio-2-deoxy-alpha-D-glucopyranoside Neomycin D(3+) paromamine(3+)
kegg.compound:C01743 keggC:C01743 JGSMDVGTXBPWIM-HKEUSBCWSA-N	Paromamine Neomycin D
seed.compound:cpd01201 seedM:cpd01201 JGSMDVGTXBPWIM-HKEUSBCWSA-Q	Paromamine Neomycin D neomycin D paromamine
CHEBI:7933 chebi:7933 JGSMDVGTXBPWIM-HKEUSBCWSA-N	paromamine (1R)-O4-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-2-deoxy-streptamine (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside 4-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-2-deoxy-D-streptamine Neomycin D Paromamine
metacyc.compound:CPD-14125 metacycM:CPD-14125 JGSMDVGTXBPWIM-HKEUSBCWSA-Q	paromamine neomycin D
keggC:M_C01743 seedM:M_cpd01201	secondary/obsolete/fantasy identifier