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6-demethylmitomycin A

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107803

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₅H₁₅N₃O₆

charge

-2

mass

333.09718

reference

chebi:84955

InChIKey

SEDXDKBKHLUKRM-QWPQFENESA-M

InChI

InChI=1S/C15H16N3O6/c1-5-10(19)9-8(12(21)11(5)20)6(4-24-14(16)22)15(23-2)13-7(17-13)3-18(9)15/h7,13,17,20H,3-4H2,1-2H3,(H2,16,22)/q-1/p-1/t7-,13-,15+/m0/s1

SMILES

CO[C@@]12[C-](COC(N)=O)C3=C(C(=O)C(C)=C([O-])C3=O)N1C[C@@H]1N[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84955 chebi:84955	6-demethylmitomycin A (1aS,8aR,8bS)-8-[(carbamoyloxy)methyl]-6-hydroxy-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-id-6-olate 7-demethylmitomycin A(2-)
CHEBI:84592 chebi:84592	7-demethylmitomycin A(1-) (1aS,8aR,8bS)-8-[(carbamoyloxy)methyl]-6-hydroxy-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-ide