input word = C00015658

Metabolite InformationStructural formula
Name Thiazinotrienomycin G
Formula C37H49N3O7S
Mw 679.32912167
CAS RN 309753-20-6
C_ID C00015658 ,
InChIKey XWXHOGFLJKTTBA-QDZUAERWNA-N
InChICode InChI=1S/C37H49N3O7S/c1-23-14-13-18-28-34(43)29(21-30-35(28)48-22-38-30)40-32(41)20-27(46-4)17-11-6-5-7-12-19-31(24(2)33(23)42)47-37(45)25(3)39-36(44)26-15-9-8-10-16-26/h5-7,11-12,14,17,21-22,24-27,31,33,42-43H,8-10,13,15-16,18-20H2,1-4H3,(H,39,44)(H,40,41)/b6-5+,12-7+,17-11+,23-14+/t24-,25-,27+,31+,33+/m1/s1
SMILES c1nc2c(s1)c1CC/C=C(/[C@@H]([C@@H]([C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)Nc(c2)c1O)OC)OC(=O)[C@H](NC(=O)C1CCCCC1)C)C)O)\C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MJ672-m3 Ref.
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