input word = C00017807

Metabolite InformationStructural formula
Name Antibiotic AAD 609C1
Kibdelin C1
Formula C83H88Cl4N8O29
Mw 1800.44112975
CAS RN 103549-47-9
C_ID C00017807 ,
InChIKey ZFVRJVVAOBPVHG-FDNBVLOSNA-N
InChICode InChI=1S/C83H88Cl4N8O29/c1-31(2)10-8-6-4-5-7-9-11-55(102)89-65-70(107)68(105)53(29-96)122-82(65)124-74-51-23-35-24-52(74)120-73-43(85)20-36(21-44(73)86)67(104)64-80(115)93-62(81(116)117)40-25-37(98)26-50(121-83-72(109)71(108)69(106)54(30-97)123-83)56(40)39-18-32(12-15-45(39)99)59(76(111)95-64)90-77(112)60(35)91-78(113)61-41-27-38(28-47(101)57(41)87)118-49-22-33(13-16-46(49)100)58(88-3)75(110)94-63(79(114)92-61)66(103)34-14-17-48(119-51)42(84)19-34/h12-28,31,53-54,58-72,82-83,88,96-101,103-109H,4-11,29-30H2,1-3H3,(H,89,102)(H,90,112)(H,91,113)(H,92,114)(H,93,115)(H,94,110)(H,95,111)(H,116,117)/t53-,54-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,68-,69+,70-,71-,72+,82+,83+/m1/s1
SMILES CNC1C(=O)NC2C(=O)NC(C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O[C@H]6OC(CO)[C@H](O)[C@@H](O)C6O)c5-c5cc4ccc5O)C(O)c4cc(Cl)c(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)C2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
--PseudonocardiaceaeKibdelosporangium aridum subsp. largum (SK&F AAD-609) Ref.
zoom in