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4-methylamino-4-dedimethylamino-anhydrotetracycline

PropertiesImage
MNX_IDMNXM162457 Image of MNXM162457
referencechebi:133696
formulaC21H20N2O7
global charge0
mol weight412.398
InChIKeyIIHPMGDKNZPGON-QYAMTVPHSA-N
InChIInChI=1S/C21H20N2O7/c1-7-8-4-3-5-11(24)12(8)16(25)13-9(7)6-10-15(23-2)17(26)14(20(22)29)19(28)21(10,30)18(13)27/h3-5,10,15,23-26,30H,6H2,1-2H3,(H2,22,29)/t10-,15-,21-/m0/s1
SMILESC[NH2+][C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC=C4C(C)=C3C[C@@H]12
MNX internals
InChI (mnx)InChI=1/C21H20N2O7/c1-7-8-4-3-5-11(24)12(8)16(25)13-9(7)6-10-15(23-2)17(26)14(20(22)29)19(28)21(10,30)18(13)27/h3-5,10,15,23-26,30H,6H2,1-2H3,(H2,22,29)/t10-,15-,21-/m0/s1 Image of MNXM162457
SMILES (mnx)[CH3:1][C:7]1=[C:8]2[CH:4]=[CH:3][CH:5]=[C:11]([OH:24])[C:12]2=[C:16]([OH:25])[C:13]2=[C:9]1[CH2:6][C@H:10]1[C@H:15]([NH:23][CH3:2])[C:17]([OH:26])=[C:14]([C:20](=[NH:22])[OH:29])[C:19](=[O:28])[C@@:21]1([OH:30])[C:18]2=[O:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133696
chebi:133696
IIHPMGDKNZPGON-QYAMTVPHSA-N 		4-methylamino-4-dedimethylamino-anhydrotetracycline
(1S,4aS,12aS)-3-carbamoyl-4a,6,7-trihydroxy-11-methyl-1-(methylazaniumyl)-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
desmethylanhydrotetracycline zwitterion

seed.compound:cpd35235
seedM:cpd35235
IIHPMGDKNZPGON-QYAMTVPHSA-N 		(4S,4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
4-methylamino-4-de(dimethylamino)anhydrotetracycline

kegg.compound:C21436
keggC:C21436
IIHPMGDKNZPGON-QYAMTVPHSA-N 		4-Methylamino-4-de(dimethylamino)anhydrotetracycline

metacyc.compound:CPD-19271
metacycM:CPD-19271
IIHPMGDKNZPGON-QYAMTVPHSA-N 		4-methylamino-4-de(dimethylamino)anhydrotetracycline
(4S,4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

CHEBI:134655
chebi:134655
IIHPMGDKNZPGON-QYAMTVPHSA-N 		desmethylanhydrotetracycline
(4S,4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
4-Methylamino-4-de(dimethylamino)anhydrotetracycline
4-methylamino-4-dedimethylamino-anhydrotetracycline
N-desmethylanhydrotetracycline

keggC:M_C21436
seedM:M_cpd35235 		secondary/obsolete/fantasy identifier