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mitomycin B

MNXM146591 is deprecated and here replaced by MNXM1107809
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107809 Image of MNXM1107809
referencechebi:84590
formulaC16H18N3O6
global charge-1
mol weight348.335
InChIKeyXZHLAASMHPDMBP-LREIXMIKSA-N
InChIInChI=1S/C16H18N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h8,14,23H,4-5H2,1-3H3,(H2,17,22)/q-1/t8-,14-,16+,18?/m0/s1
SMILESCOC1=C(C)C(=O)C2=C(C1=O)[C-](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C
MNX internals
InChI (mnx)InChI=1/C16H18N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h8,14,23H,4-5H2,1-3H3,(H2,17,22)/q-1/t8-,14-,16+,18?/m0/s1 Image of MNXM1107809
SMILES (mnx)[CH3:1][C:6]1=[C:13]([O:24][CH3:3])[C:12](=[O:21])[C:9]2=[C:10]([C:11]1=[O:20])[N:19]1[CH2:4][C@H:8]3[C@@H:14]([C@:16]1([OH:23])[C-:7]2[CH2:5][O:25][C:15](=[NH:17])[OH:22])[N:18]3[CH3:2]
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:84590
chebi:84590
XZHLAASMHPDMBP-LREIXMIKSA-N 		mitomycin B
(1aS,8aR,8bS)-8-[(carbamoyloxy)methyl]-8a-hydroxy-6-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-ide
mitomycin B(1-)