input word = C00017964

Metabolite InformationStructural formula
Name Bleomycin B'1
Bleomycin B1'
Formula C50H73N17O21S2
Mw 1311.46083398
CAS RN 41138-54-9
C_ID C00017964 ,
InChIKey NYJRSYHHHBHHOR-UHFFFAOYNA-N
InChICode InChI=1S/C50H73N17O21S2/c1-15-28(64-42(67-39(15)53)20(7-26(52)71)59-8-19(51)40(54)77)45(81)66-30(36(21-9-57-14-60-21)86-49-38(34(75)32(73)24(10-68)85-49)87-48-35(76)37(88-50(56)83)33(74)25(11-69)84-48)46(82)61-17(3)31(72)16(2)43(79)65-29(18(4)70)44(80)58-6-5-27-62-23(13-89-27)47-63-22(12-90-47)41(55)78/h9,12-14,16-20,24-25,29-38,48-49,59,68-70,72-76H,5-8,10-11,51H2,1-4H3,(H2,52,71)(H2,54,77)(H2,55,78)(H2,56,83)(H,57,60)(H,58,80)(H,61,82)(H,65,79)(H,66,81)(H2,53,64,67)/t16-,17+,18-,19-,20+,24+,25+,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,48+,49-/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)N
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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OrganismStreptomyces verticillus NIHJ 424 (FERM-P 2453 ATCC 15003)
ReferenceFujii,J.Antibiotics,26,(1973),396