input word = C00018613

Metabolite InformationStructural formula
Name Antibiotic TAN 547B
Chitinovorin B
Formula C29H46N10O12S
Mw 758.30173774
CAS RN 95722-76-2
C_ID C00018613 ,
InChIKey GYGJEMVAHZKULL-UHFFFAOYNA-N
InChICode InChI=1S/C29H46N10O12S/c1-13(30)22(44)36-14(2)23(45)37-17(6-4-8-34-28(32)33)18(41)9-20(43)51-10-15-11-52-27-29(35-12-40,26(50)39(27)21(15)25(48)49)38-19(42)7-3-5-16(31)24(46)47/h12-14,16-18,27,41H,3-11,30-31H2,1-2H3,(H,35,40)(H,36,44)(H,37,45)(H,38,42)(H,46,47)(H,48,49)(H4,32,33,34)/t13-,14+,16-,17+,18-,27-,29+/m1/s1
SMILES [C@@H]12N(C(=C(CS1)COC(=O)C[C@H]([C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)N)O)C(=O)O)C(=O)[C@]2(NC=O)NC(=O)CCC[C@H](C(=O)O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaFlavobacteriaceaeFlavobacterium chitinovorum sp. nov. Ref.
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