(Q76391119)

English

O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4))-2-deoxy-N(1)-ethyl-D-streptamine

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

475.300598652 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₄₁N₅O₇

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canonical SMILES

OC1COC(OC2C(O)C(OC3OC(=CCC3N)CN)C(N)CC2NCC)C(O)(C)C1NC

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isomeric SMILES

CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@]([C@@H]([C@H](CO2)O)NC)(C)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N

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Identifiers

InChI

InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)15(28)17(13)33-20-21(2,29)18(25-3)14(27)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20-,21-/m1/s1

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InChIKey

ZBGPYVZLYBDXKO-HILBYHGXSA-N

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mapping relation type

exact match

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stated in

ChEBI release 2021-03-01

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(Q76391119)

O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4))-2-deoxy-N(1)-ethyl-D-streptamine

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