mitomycin B(1-) (Q27157891)

(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 (English)

retrieved

9 October 2016

chemical formula

C₁₆H₁₈N₃O₆⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC=1C(C2=C([C-](COC(=N)O)C3(C4(C(CN23)(N4C)[H])[H])O)C(C1OC)=O)=O

1 reference

language of work or name

English

title

mitomycin B(1-) (English)

retrieved

9 October 2016

isomeric SMILES

CC=1C(C2=C([C-](COC(=N)O)[C@]3([C@@]4([C@](CN23)(N4C)[H])[H])O)C(C1OC)=O)=O

1 reference

language of work or name

English

title

mitomycin B(1-) (English)

retrieved

9 October 2016

Identifiers

InChI

InChI=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

1 reference

language of work or name

English

title

mitomycin B(1-) (English)

retrieved

9 October 2016

InChIKey

XZHLAASMHPDMBP-LREIXMIKSA-N

2 references

language of work or name

English

title

mitomycin B(1-) (English)

retrieved

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

(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 (English)

retrieved

9 October 2016

ChEBI ID

84590

mapping relation type

2 references

language of work or name