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4-amino-4-dedimethylamino-anhydrotetracycline

MNXM37406 is deprecated and here replaced by MNXM735051
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735051 Image of MNXM735051
referencechebi:133697
formulaC20H18N2O7
global charge0
mol weight398.371
InChIKeyINUFQOJZVFLXMQ-OWYOPICZSA-N
InChIInChI=1S/C20H18N2O7/c1-6-7-3-2-4-10(23)11(7)15(24)12-8(6)5-9-14(21)16(25)13(19(22)28)18(27)20(9,29)17(12)26/h2-4,9,14,23-25,29H,5,21H2,1H3,(H2,22,28)/t9-,14-,20-/m0/s1
SMILESCC1=C2C[C@H]3[C@H]([NH3+])C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2=C(O)C2=C(O)C=CC=C12
MNX internals
InChI (mnx)InChI=1/C20H18N2O7/c1-6-7-3-2-4-10(23)11(7)15(24)12-8(6)5-9-14(21)16(25)13(19(22)28)18(27)20(9,29)17(12)26/h2-4,9,14,23-25,29H,5,21H2,1H3,(H2,22,28)/t9-,14-,20-/m0/s1 Image of MNXM735051
SMILES (mnx)[CH3:1][C:6]1=[C:7]2[CH:3]=[CH:2][CH:4]=[C:10]([OH:23])[C:11]2=[C:15]([OH:24])[C:12]2=[C:8]1[CH2:5][C@H:9]1[C@H:14]([NH2:21])[C:16]([OH:25])=[C:13]([C:19](=[NH:22])[OH:28])[C:18](=[O:27])[C@@:20]1([OH:29])[C:17]2=[O:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133697
chebi:133697
INUFQOJZVFLXMQ-OWYOPICZSA-N 		4-amino-4-dedimethylamino-anhydrotetracycline
(1S,4aS,12aS)-1-azaniumyl-3-carbamoyl-4a,6,7-trihydroxy-11-methyl-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
4-amino-4-de(dimethylamino)anhydrotetracycline zwitterion
didesmethylanhydrotetracycline zwitterion

kegg.compound:C06654
keggC:C06654
INUFQOJZVFLXMQ-OWYOPICZSA-N 		4-Amino-anhydrotetracycline
4-Amino-4-de(dimethylamino)anhydrotetracycline
4-Amino-ATC
4-Dedimethyl-6-dehydro-anhydrotetracycline

seed.compound:cpd04057
seedM:cpd04057
INUFQOJZVFLXMQ-OWYOPICZSA-N 		4-Dedimethyl-6-dehydro-anhydrotetracycline
(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
4-Amino-ATC
4-Amino-anhydrotetracycline
4-amino-4-de(dimethylamino)anhydrotetracycline
4-amino-ATC

CHEBI:28461
chebi:28461
INUFQOJZVFLXMQ-OWYOPICZSA-N 		4-amino-4-de(dimethylamino)anhydrotetracycline
(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
4-Dedimethyl-6-dehydro-anhydrotetracycline
4-amino-4-dedimethylamino-anhydrotetracycline
4-amino-ATC
didesmethylanhydrotetracycline

metacyc.compound:CPD-19270
metacycM:CPD-19270
INUFQOJZVFLXMQ-OWYOPICZSA-N 		4-amino-4-de(dimethylamino)anhydrotetracycline
(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
4-amino-ATC

chebi:134662
chebi:1818
chebi:20354
keggC:M_C06654
seedM:M_cpd04057 		secondary/obsolete/fantasy identifier