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spectinomycin

MNXM12949 is deprecated and here replaced by MNXM1105067
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105067

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

formula

C₁₄H₂₅N₂O₇

charge

mass

333.16563

reference

chebi:146260

InChIKey

UNFWWIHTNXNPBV-WXKVUWSESA-O

InChI

InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/p+1/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1

SMILES

CN[C@H]1[C@@H](O)[C@@H]([NH2+]C)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:146260 chebi:146260	spectinomycin spectinomycin(1+)
bigg.metabolite:Sptmyn biggM:Sptmyn kegg.compound:C02078 keggC:C02078	Spectinomycin
kegg.drug:D08526 keggD:D08526	Spectinomycin (INN) Adspec (TN) Prospec (TN)
hmdb:HMDB0015055	Spectinomycin (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0³,⁸]tetradecan-7-one Actinospectacin Adspec Anhydrous spectinomycin dihydrochloride Antibiotic 2233WP Aspen brand OF spectinomycin dihydrochloride CEVA brand OF spectinomycin dihydrochloride Chevita brand OF spectinomycin dihydrochloride Dihydrochloride, pharmacia spectinomycin Espectinomicina Ferkel spectam Interpharm brand OF spectinomycin dihydrochloride Kempi Osborn brand OF spectinomycin dihydrochloride Pharmacia brand OF spectinomycin Pharmacia brand OF spectinomycin dihydrochloride Pharmacia spain brand OF spectinomycin dihydrochloride Pharmacia spectinomycin dihydrochloride Prospec SCM SPCM Salmosan T Salmosan-T SalmosanT Sanofi brand OF spectinomycin dihydrochloride Spectam Spectam, ferkel Spectinomycin dihydrochloride, anhydrous Spectinomycin dihydrochloride, pentahydrate Spectinomycin dihydrochloride, pharmacia Spectinomycin hcl/ sulphate Spectinomycin hydrochloride Spectinomycin pharmacia brand Spectinomycin valdar brand Spectinomycine Spectinomycinum Stanilo Trobicin Valdar brand OF spectinomycin prospec
seed.compound:cpd01409 seedM:cpd01409	Spectinomycin Sptmyn
metacyc.compound:CPD-22925 metacycM:CPD-22925	spectinomycin
CHEBI:77315 chebi:77315	spectinomycin(2+) (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-N,N',2-trimethyl-4-oxodecahydro-2H-pyrano[2,3-b][1,4]benzodioxine-6,8-diaminium spectinomycin dication
CHEBI:9215 chebi:9215	spectinomycin (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one Antibiotic 2233wp espectinomicina spectinomycine spectinomycinum
hmdb:HMDB15055 chebi:45551 biggM:M_Sptmyn keggC:M_C02078 keggD:M_D08526 seedM:M_cpd01409	secondary/obsolete/fantasy identifier