input word = C00029120

Metabolite InformationStructural formula
Name Thuggacin A
Formula C35H53NO7S
Mw 631.35427378
CAS RN 190895-98-8
C_ID C00029120 ,
InChIKey CGUNOWXWUXNOPE-KMLJFUKJNA-N
InChICode InChI=1S/C35H53NO7S/c1-7-9-10-12-15-26-19-27-21-44-34(36-27)24(5)29(38)20-28(37)16-13-11-14-17-30(43-35(26)42)33(41)32(40)25(6)31(39)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 C1(=O)/C(=C/c2nc([C@@H]([C@H](C[C@@H](/C=C/C=C/C[C@H](O1)[C@@H]([C@@H]([C@H]([C@@H](/C(=C/C(=C/C)/C)/C)O)C)O)O)O)O)C)sc2)/CCCCCC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
--Sorangium cellulosum DSM10320 Ref.
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OrganismSorangium cellulosum DSM10320
ReferenceHofle,PCI Int.Appl.WO97,18,(1997),217