input word = C00017963

Metabolite InformationStructural formula
Name Bleomycin A2'-c
Formula C55H79N19O21S2
Mw 1405.51393219
CAS RN 62960-69-4
C_ID C00017963 ,
InChIKey XONNZOVMPIEEMM-UHFFFAOYNA-N
InChICode InChI=1S/C55H79N19O21S2/c1-19-33(71-46(74-44(19)58)25(9-31(57)78)65-11-24(56)45(59)84)50(88)73-35(41(26-12-62-18-67-26)93-54-43(39(82)37(80)29(13-75)92-54)94-53-40(83)42(95-55(60)90)38(81)30(14-76)91-53)51(89)68-21(3)36(79)20(2)47(85)72-34(22(4)77)49(87)64-8-6-32-69-28(16-96-32)52-70-27(15-97-52)48(86)63-7-5-23-10-61-17-66-23/h10,12,15-18,20-22,24-25,29-30,34-43,53-54,65,75-77,79-83H,5-9,11,13-14,56H2,1-4H3,(H2,57,78)(H2,59,84)(H2,60,90)(H,61,66)(H,62,67)(H,63,86)(H,64,87)(H,68,89)(H,72,85)(H,73,88)(H2,58,71,74)/t20-,21-,22+,24+,25+,29+,30-,34-,35+,36-,37-,38-,39+,40-,41-,42+,43-,53-,54+/m0/s1
SMILES c1c(nc(s1)c1nc(sc1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)[C@H](O)[C@@H](NC(=O)[C@H](NC(=O)c1nc(nc(c1C)N)[C@@H](CC(=O)N)NC[C@@H](N)C(=O)N)[C@@H](O[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)OC(=O)N)O)CO)c1[nH]cnc1)C)C(=O)NCCc1[nH]cnc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces verticillus NIHJ 424 (FERM-P 2453 ATCC 15003) Ref.
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