input word = C00029121

Metabolite InformationStructural formula
Name Thuggacin B
Formula C35H53NO7S
Mw 631.35427378
CAS RN 190895-99-9
C_ID C00029121 ,
InChIKey PYRHQOMSRZQEKL-UBJJNYIPNA-N
InChICode InChI=1S/C35H53NO7S/c1-7-9-10-12-15-26-19-27-21-44-34(36-27)24(5)30(39)20-28(37)16-13-11-14-17-29(38)33(43-35(26)42)32(41)25(6)31(40)23(4)18-22(3)8-2/h8,11,13-14,16,18-19,21,24-25,28-33,37-41H,7,9-10,12,15,17,20H2,1-6H3/b14-11-,16-13+,22-8+,23-18+,26-19+/t24-,25+,28-,29+,30+,31-,32-,33-/m1/s1
SMILES C/C=C(C)/C=C(C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H]1OC(=O)/C(CCCCCC)=C/c2csc(n2)[C@H](C)[C@@H](O)C[C@H](O)/C=C/C=CC[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
--Sorangium cellulosum DSM10320 Ref.
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