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6-demethylmitomycin A

MNXM146512 is deprecated and here replaced by MNXM1107803
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107803 Image of MNXM1107803
referencechebi:84955
formulaC15H15N3O6
global charge-2
mol weight333.3
InChIKeySEDXDKBKHLUKRM-QWPQFENESA-M
InChIInChI=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
SMILESCO[C@@]12[C-](COC(N)=O)C3=C(C(=O)C(C)=C([O-])C3=O)N1C[C@@H]1N[C@@H]12
MNX internals
InChI (mnx)InChI=1/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/t7-,13-,15+/m0/s1 Image of MNXM1107803
SMILES (mnx)[CH3:1][C:5]1=[C:11]([OH:20])[C:12](=[O:21])[C:8]2=[C:9]([C:10]1=[O:19])[N:18]1[CH2:3][C@H:7]3[C@@H:13]([C@:15]1([O:23][CH3:2])[C-:6]2[CH2:4][O:24][C:14](=[NH:16])[OH:22])[NH:17]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84955
chebi:84955
SEDXDKBKHLUKRM-QWPQFENESA-M 		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
SEDXDKBKHLUKRM-QWPQFENESA-N 		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