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Substance Name: Antibiotic MA144 K1
RN: 67508-84-3
InChIKey: UTUWPAUJZCCHLM-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C40-H49-N-O15

Molecular Weight

  • 783.819
 
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Names and Synonyms

Results Name

  • Antibiotic MA144 K1

Synonyms

  • BRN 1418479
  • MA144 K1
  • N,N-Didemethylaclacinomycin A
  • N-Didemethylaclacinomycin A

Systematic Name

  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-6,11-dioxo-4-((O-2,3,6-trideoxy-alpha-L-glycero-hexopyranos-4-ulos-1-yl(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-amino-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-,methyl ester, (1R-(1-alpha,2-beta,4-beta))-

Registry Numbers

CAS Registry Number

  • 67508-84-3

Other Registry Number

  • 77607-10-4

System Generated Number

  • 0067508843

Structure Descriptors

InChI

1S/C40H49NO15/c1-6-40(49)15-26(31-20(33(40)39(48)50-5)12-21-32(36(31)47)35(46)30-19(34(21)45)8-7-9-24(30)43)54-28-13-22(41)37(17(3)52-28)56-29-14-25(44)38(18(4)53-29)55-27-11-10-23(42)16(2)51-27/h7-9,12,16-18,22,25-29,33,37-38,43-44,47,49H,6,10-11,13-15,41H2,1-5H3

InChIKey

UTUWPAUJZCCHLM-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O[C@@H]1CCC([C@@H](O1)C)=O)C)O[C@@H]1[C@@H](N)C[C@@H](O[C@@H]2c3c(O)c4C(=O)c5c(cccc5C(=O)c4cc3[C@@H]([C@@](C2)(O)CC)C(=O)OC)O)O[C@@H]1C