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minocycline

MNXM128081 is deprecated and here replaced by MNXM727814
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM727814

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

formula

C₂₃H₂₇N₃O₇

charge

mass

457.1849

reference

chebi:77906

InChIKey

DYKFCLLONBREIL-KVUCHLLUSA-N

InChI

InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1

SMILES

CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77906 chebi:77906	minocycline (1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate minocycline zwitterion
seed.compound:cpd32157 seedM:cpd32157	7-dimethylamino-6-demethyl-6-deoxytetracycline minocycline
bigg.metabolite:mincyc biggM:mincyc seed.compound:cpd04461 seedM:cpd04461 kegg.compound:C07225 keggC:C07225 lipidmaps:LMPK07000002 lipidmapsM:LMPK07000002	Minocycline
kegg.drug:D05045 keggD:D05045	Minocycline (USAN/INN)
hmdb:HMDB0015152	Minocycline (4S,4AS,5ar,12as)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide 7-Dimethylamino-6-demethyl-6-deoxytetracycline MINO Minociclina Minociclinum Minomycin minocycline
CHEBI:71337 chebi:71337	minocycline(1-) (1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate minocycline anion
CHEBI:50694 chebi:50694	minocycline (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide 7-Dimethylamino-6-demethyl-6-deoxytetracycline Minocycline minociclina minociclinum minomycin
metacyc.compound:CPD-19259 metacycM:CPD-19259	minocycline 7-dimethylamino-6-demethyl-6-deoxytetracycline
hmdb:HMDB15152 chebi:44053 chebi:6939 biggM:M_mincyc keggC:M_C07225 keggD:M_D05045 seedM:M_cpd04461 seedM:M_cpd32157	secondary/obsolete/fantasy identifier