input word = C00000753

Metabolite InformationStructural formula
Name Thiostrepton
Formula C72H85N19O18S5
Mw 1663.4923507
CAS RN 1393-48-2
C_ID C00000753 ,
InChIKey NSFFHOGKXHRQEW-OOLIWOLVNA-N
InChICode InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15-/t26-,30-,31-,32-,33+,34+,35+,39+,45+,47-,48-,49-,51-,52+,53+,71+,72+/m0/s1
SMILES C1[C@@]23[C@H](N=C(C1)c1scc(n1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)c1csc([C@@H](NC(=O)c4nc(sc4)[C@H]([C@@]([C@@H](C)O)(O)C)NC(=O)[C@@H]4N=C(/C(=C/C)/NC(=O)[C@@H](NC(=O)c5csc2n5)[C@@H](C)O)SC4)[C@H](OC(=O)c2cc(c4c(n2)[C@H]([C@H](N[C@H](C(=O)N[C@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)N3)C)C)[C@H](CC)C)C=C4)O)[C@@H](O)C)C)n1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces azureus Ref.
BacteriaStreptomycetaceaeStreptomyces laurentii Ref.
zoom in