input word = C00018854

Metabolite InformationStructural formula
Name Bleomycin A'2-b
Bleomycin A2'-b
Formula C53H80N18O21S2
Mw 1368.51868321
CAS RN 41138-53-8
C_ID C00018854 ,
InChIKey LSMWJUCWMOCWBF-UHFFFAOYNA-N
InChICode InChI=1S/C53H80N18O21S2/c1-18-31(68-44(71-42(18)57)23(10-29(56)75)63-11-22(55)43(58)81)48(85)70-33(39(24-12-60-17-64-24)90-52-41(37(79)35(77)27(13-72)89-52)91-51-38(80)40(92-53(59)87)36(78)28(14-73)88-51)49(86)65-20(3)34(76)19(2)45(82)69-32(21(4)74)47(84)62-9-6-30-66-26(16-93-30)50-67-25(15-94-50)46(83)61-8-5-7-54/h12,15-17,19-23,27-28,32-41,51-52,63,72-74,76-80H,5-11,13-14,54-55H2,1-4H3,(H2,56,75)(H2,58,81)(H2,59,87)(H,60,64)(H,61,83)(H,62,84)(H,65,86)(H,69,82)(H,70,85)(H2,57,68,71)/t19-,20-,21-,22+,23+,27-,28+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,51-,52+/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)NCCCN
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces verticillus NIHJ 424 (FERM-P 2453 ATCC 15003) Ref.
zoom in



OrganismStreptomyces verticillus NIHJ 424 (FERM-P 2453 ATCC 15003)
ReferenceYoshioka,J. Antibiotics 25,(1972),755