input word = C00017606

Metabolite InformationStructural formula
Name Antibiotic MM 49721
Antiobiotic MM 49721
MM 49721
Formula C72H87N9O28
Mw 1525.56605327
CAS RN 126985-52-2
C_ID C00017606 ,
InChIKey APHXQKPMYQJNNO-UHFFFAOYNA-N
InChICode InChI=1S/C72H87N9O28/c1-26(2)17-38(75-6)63(94)80-51-54(88)29-7-12-34(13-8-29)104-42-19-32-20-43(60(42)108-71-61(57(91)55(89)44(25-82)106-71)109-70-58(92)56(90)53(87)27(3)103-70)105-35-14-9-30(10-15-35)59(107-46-24-72(5,74)62(93)28(4)102-46)52-68(99)79-50(69(100)101)37-21-33(83)22-41(85)47(37)36-18-31(11-16-40(36)84)48(65(96)81-52)78-66(97)49(32)77-64(95)39(23-45(73)86)76-67(51)98/h7-16,18-22,26-28,38-39,44,46,48-59,61-62,70-71,75,82-85,87-93H,17,23-25,74H2,1-6H3,(H2,73,86)(H,76,98)(H,77,95)(H,78,97)(H,79,99)(H,80,94)(H,81,96)(H,100,101)/t27-,28-,38-,39-,44-,46-,48-,49+,50-,51+,52+,53+,54-,55-,56-,57+,58-,59-,61-,62-,70-,71-,72+/m0/s1
SMILES [C@@H]1([C@@H]([C@@](C[C@@H](O1)O[C@H]1c2ccc(cc2)Oc2cc3cc(c2O[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2O[C@@H]2O[C@H]([C@H]([C@@H]([C@@H]2O)O)O)C)O)O)CO)Oc2ccc(cc2)[C@H](O)[C@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H]3C(=O)N[C@H]2c3cc(c(cc3)O)c3c([C@H](NC(=O)[C@@H]1NC2=O)C(=O)O)cc(cc3O)O)NC(=O)[C@@H](NC)CC(C)C)(N)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis orientalis NCIB 12608 Ref.
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