4-amino-4-de(dimethylamino)anhydrotetracycline

Chemical Formula:

C₂₀H₁₈N₂O₇

Molecular Weight:

398.371 Daltons

Monoisotopic Mass:

399.119225975 Daltons

SMILES:

CC1(C4(=C(C(O)=C2(C(=O)C3(O)(C(=O)C(C(=O)N)=C([O-])C([N+])[CH](CC=12)3)))C(O)=CC=C4))

InChI:

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

InChIKey:

INUFQOJZVFLXMQ-OWYOPICZSA-N

Synonyms

4-amino-ATC
(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

Databases

MetaCyc: CPD-19270

ChEBI: 133697

PubChem (CID): 122198286

KEGG: C06654

Seed: cpd04057

MetaNetX: MNXM37406