input word = C00015146

Metabolite InformationStructural formula
Name Goadsporin
Formula C72H97N19O20S2
Mw 1611.65986814
CAS RN 403476-91-5
C_ID C00015146 ,
InChIKey JYUWJUDWHAUBBT-VVJXIKJINA-N
InChICode InChI=1S/C72H97N19O20S2/c1-19-33(10)53(89-67(105)56-40(17)111-70(91-56)37(14)79-63(101)51(31(6)7)87-66(104)55-39(16)110-69(90-55)36(13)76-41(18)93)64(102)82-43(21-30(4)5)71-85-47(28-113-71)61(99)83-44(25-92)58(96)74-22-48(94)73-23-49-86-54(38(15)109-49)65(103)81-42(20-29(2)3)59(97)78-35(12)68-84-45(26-108-68)60(98)77-34(11)57(95)75-24-50-80-46(27-112-50)62(100)88-52(32(8)9)72(106)107/h26-34,36,42-44,51-53,92H,12,14,19-25H2,1-11,13,15-18H3,(H,73,94)(H,74,96)(H,75,95)(H,76,93)(H,77,98)(H,78,97)(H,79,101)(H,81,103)(H,82,102)(H,83,99)(H,87,104)(H,88,100)(H,89,105)(H,106,107)/t33-,34-,36+,42-,43-,44-,51-,52-,53-/m0/s1
SMILES C=C(NC(=O)[C@H](CC(C)C)NC(=O)c1nc(CNC(=O)CNC(=O)[C@H](CO)NC(=O)c2csc([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c3nc(C(=C)NC(=O)[C@@H](NC(=O)c4nc(C(C)NC(C)=O)oc4C)C(C)C)oc3C)[C@@H](C)CC)n2)oc1C)c1nc(C(=O)N[C@@H](C)C(=O)NCc2nc(C(=O)N[C@H](C(=O)O)C(C)C)cs2)co1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. TP-A0584 Ref.
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