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Substance Name: Tunicamycin B2
RN: 73942-09-3
InChIKey: QYVMTFXNKNWWFX-CCEZHUSRSA-N

Molecular Formula

  • C38-H62-N4-O6

Molecular Weight

  • 830.9198
 
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Names and Synonyms

Name of Substance

  • Tunicamycin B2

Systematic Name

  • 2,4-(1H,3H)-Pyrimidinedione, 1-((10(E),11R)-11-O-(2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl)-6,10-dideoxy-10-((1-oxo-2-heptadecenyl)amino)-L-galacto-beta-D-allo-undecodialdo-1,4-furanose-11,7-pyranos-1-yl)-

Registry Numbers

CAS Registry Number

  • 73942-09-3

System Generated Number

  • 0073942093

Structure Descriptors

InChI

1S/C38H62N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(2)44)30(50)29(49)23(19-43)56-36)18-21(45)34-32(52)33(53)35(57-34)42-17-16-25(47)41-38(42)54/h14-17,21-23,26-37,43,45,48-53H,3-13,18-19H2,1-2H3,(H,39,44)(H,40,46)(H,41,47,54)/b15-14+

InChIKey

QYVMTFXNKNWWFX-CCEZHUSRSA-N

Smiles

CCCCCCCCCCCC/C=C/C(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)n4ccc(=O)[nH]c4=O)O)O)O)O)O