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Substance Name: N-(1-Deoxyfructosyl)amphotericin B
RN: 113693-19-9
InChIKey: YAKICIHFDVEAMY-YAYRCEHOSA-N

Molecular Formula

  • C53-H83-N-O22

Molecular Weight

  • 1086.2237
 
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Names and Synonyms

Name of Substance

  • N-(1-Deoxyfructosyl)amphotericin B

Synonyms

  • N-(1-Deoxy-D-fructos-l-yl)amphotericin B
  • N-Fru-amb

Systematic Name

  • Amphotericin B, N-(1-deoxy-beta-D-fructopyranos-l-yl)-

Registry Numbers

CAS Registry Number

  • 113693-19-9

Other Registry Number

  • 119829-29-7

System Generated Number

  • 0113693199

Structure Descriptors

InChI

1S/C53H83NO22/c1-29-17-15-13-11-9-7-5-6-8-10-12-14-16-18-36(75-51-48(66)44(46(64)32(4)74-51)54-28-53(71)49(67)47(65)40(61)27-72-53)24-41-43(50(68)69)39(60)26-52(70,76-41)25-35(57)22-38(59)37(58)20-19-33(55)21-34(56)23-42(62)73-31(3)30(2)45(29)63/h5-18,29-41,43-49,51,54-61,63-67,70-71H,19-28H2,1-4H3,(H,68,69)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39-,40+,41-,43+,44-,45+,46+,47+,48-,49-,51-,52+,53+/m0/s1

InChIKey

YAKICIHFDVEAMY-YAYRCEHOSA-N

Smiles

C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)NC[C@@]4([C@H]([C@@H]([C@@H](CO4)O)O)O)O)O