Quelamycin

Molecular Formula: C₅₄H₆₀Cl₁₇Fe₅N₂O₂₂

InChI: InChI=1/2C27H29NO11.17ClH.5Fe/c2*1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;;;;;;;;;;;;;;;;;;;;;;/h2*3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;17*1H;;;;;/q;;;;;;;;;;;;;;;;;;;5*+3/p-15/t2*10u,13?,15-,17?,22?,27-;;;;;;;;;;;;;;;;;;;;;;/m00....................../s1/f2C27H29NO11.17Cl.5Fe.2H/h;;17*1h;;;;;;;/q;;17*-1;5m;2*+1

InChIKey: InChIKey=HBUZIFUTQUSBHL-CLDWVYGKDF
SMILES: [H+].[H+].CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

Names:
    Bis(adriamycin) Fe5Cl17.cntdot.2H
    Ferrate(2-), bis[10-[(3-amino-2,3, 6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9, 10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5, 12-naphthacenedione]heptadecachloropenta-, dihydrogen, (8S-cis)-
    Ferrate(2-), bis[10-[(3-amino-2,3, 6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9, 10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5, 12-naphthacenedione]heptadecachloropenta-, dihydrogen
    NSC265468
    Quelamycin
    (7S,9R)-7-(4-amino-5-hydroxy-6-methyl-oxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; hydrogen(+1) cation; iron(+3) cation; heptadecachloride

Registries:
    PubChem CID 319851
    PubChem ID 139843