O-3-O-5′-Adenylyl-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-D-streptamine

CAS Registry Number®

22169-43-3
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CAS Name

O-3-O-5′-Adenylyl-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-D-streptamine

Molecular Formula

C31H51N12O18P

Molecular Mass

910.78

Cite this Page

O-3-O-5′-Adenylyl-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-D-streptamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22169-43-3 (retrieved 2024-09-20) (CAS RN: 22169-43-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H51N12O18P/c1-8-31(52,5-45)23(28(56-8)59-21-12(42-30(35)36)17(48)11(41-29(33)34)18(49)19(21)50)60-27-13(37-2)22(16(47)9(3-44)58-27)61-62(53,54)55-4-10-15(46)20(51)26(57-10)43-7-40-14-24(32)38-6-39-25(14)43/h5-13,15-23,26-28,37,44,46-52H,3-4H2,1-2H3,(H,53,54)(H2,32,38,39)(H4,33,34,41)(H4,35,36,42)

InChIKey

InChIKey=XXCKFFAFJMNLBC-UHFFFAOYSA-N

SMILES

O(C1C(OC2C(NC(=N)N)C(O)C(NC(=N)N)C(O)C2O)OC(C)C1(C=O)O)C3C(NC)C(OP(OCC4OC(C(O)C4O)N5C=6C(N=C5)=C(N)N=CN6)(=O)O)C(O)C(CO)O3

Canonical SMILES

O=CC1(O)C(OC(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)C1OC3OC(CO)C(O)C(OP(=O)(O)OCC4OC(N5C=NC=6C(=NC=NC65)N)C(O)C4O)C3NC)C

Other Names for this Substance

  • D-Streptamine, O-3-O-5′-adenylyl-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-
  • Streptomycin, monoester with 5′-adenylic acid
  • D-Streptamine, O-3-O-5′-adenylyl-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-
  • O-3-O-5′-Adenylyl-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-D-streptamine
  • Adenylylstreptomycin