input word = C00016740

Metabolite InformationStructural formula
Name Bacitracin F
Formula C66H98N16O17S
Mw 1418.70165655
CAS RN 22601-63-4
C_ID C00016740 ,
InChIKey FCLQHQCOKGKLHR-UHFFFAOYNA-N
InChICode InChI=1S/C66H98N16O17S/c1-9-35(6)52(82-58(92)42(22-23-50(84)85)73-59(93)43(26-34(4)5)75-63(97)48-32-100-66(80-48)54(88)37(8)11-3)64(98)74-40-20-15-16-25-70-55(89)46(29-49(68)83)77-62(96)47(30-51(86)87)78-61(95)45(28-39-31-69-33-71-39)76-60(94)44(27-38-18-13-12-14-19-38)79-65(99)53(36(7)10-2)81-57(91)41(21-17-24-67)72-56(40)90/h12-14,18-19,31-37,40-47,52-53H,9-11,15-17,20-30,67H2,1-8H3,(H2,68,83)(H,69,71)(H,70,89)(H,72,90)(H,73,93)(H,74,98)(H,75,97)(H,76,94)(H,77,96)(H,78,95)(H,79,99)(H,81,91)(H,82,92)(H,84,85)(H,86,87)/t35-,36+,37-,40+,41-,42-,43+,44+,45+,46+,47-,52-,53+/m1/s1
SMILES [C@@H]1(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CCCCNC(=O)[C@@H](NC1=O)CC(=O)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)c1nc(sc1)C(=O)[C@@H](CC)C)CC(C)C)CCC(=O)O)[C@H](C)CC)CCCN)[C@@H](C)CC)Cc1ccccc1)Cc1[nH]cnc1)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus subtilis Ref.
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OrganismBacillus subtilis
ReferenceIkai,J.Antibiotics 45,(1992),1325