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mitomycin A

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107807

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

formula

C₁₆H₁₈N₃O₆

charge

-1

mass

348.12011

reference

chebi:84589

InChIKey

TYJUHPLDNFWIRI-OCDRQSPJSA-N

InChI

InChI=1S/C16H18N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h8,14,18H,4-5H2,1-3H3,(H2,17,22)/q-1/t8-,14-,16+/m0/s1

SMILES

COC1=C(C)C(=O)C2=C(C1=O)[C-](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84589 chebi:84589	mitomycin A (1aS,8aR,8bS)-8-[(carbamoyloxy)methyl]-6,8a-dimethoxy-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 mitomycin A(1-)