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minocycline

PropertiesImage
MNX_IDMNXM727814 Image of MNXM727814
referencechebi:77906
formulaC23H27N3O7
global charge0
mol weight457.483
InChIKeyDYKFCLLONBREIL-KVUCHLLUSA-N
InChIInChI=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
SMILESCN(C)C1=CC=C(O)C2=C1C[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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM727814
SMILES (mnx)[CH3:1][N:25]([CH3:2])[C:12]1=[C:10]2[CH2:7][C@H:9]3[CH2:8][C@H:11]4[C@H:17]([N:26]([CH3:3])[CH3:4])[C:19]([OH:29])=[C:16]([C:22](=[NH:24])[OH:32])[C:21](=[O:31])[C@@:23]4([OH:33])[C:20]([OH:30])=[C:14]3[C:18](=[O:28])[C:15]2=[C:13]([OH:27])[CH:6]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77906
chebi:77906
DYKFCLLONBREIL-KVUCHLLUSA-N 		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
DYKFCLLONBREIL-KVUCHLLUSA-M 		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
DYKFCLLONBREIL-KVUCHLLUSA-N 		Minocycline

kegg.drug:D05045
keggD:D05045
DYKFCLLONBREIL-KVUCHLLUSA-N 		Minocycline (USAN/INN)
hmdb:HMDB0015152
DYKFCLLONBREIL-KVUCHLLUSA-N 		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
DYKFCLLONBREIL-KVUCHLLUSA-M 		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
DYKFCLLONBREIL-KVUCHLLUSA-N 		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
DYKFCLLONBREIL-KVUCHLLUSA-M 		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