input word = C00015923

Metabolite InformationStructural formula
Name Cephaibol A2
Formula C83H129N17O20
Mw 1683.95997969
CAS RN 344926-93-8
C_ID C00015923 ,
InChIKey IDUVRFSEBPQZFC-RUVALENXNA-N
InChICode InChI=1S/C83H129N17O20/c1-21-82(19,92-64(109)55(38-46(3)4)89-61(106)47(5)85-68(113)76(7,8)94-70(115)78(11,12)96-71(116)79(13,14)95-69(114)77(9,10)90-63(108)56(86-48(6)102)40-50-32-27-24-28-33-50)72(117)97-81(17,18)74(119)99-43-52(103)41-58(99)66(111)88-54(35-36-60(84)105)62(107)93-83(20,22-2)75(120)100-44-53(104)42-59(100)67(112)91-80(15,16)73(118)98-37-29-34-57(98)65(110)87-51(45-101)39-49-30-25-23-26-31-49/h23-28,30-33,46-47,51-59,101,103-104H,21-22,29,34-45H2,1-20H3,(H2,84,105)(H,85,113)(H,86,102)(H,87,110)(H,88,111)(H,89,106)(H,90,108)(H,91,112)(H,92,109)(H,93,107)(H,94,115)(H,95,114)(H,96,116)(H,97,117)/t47-,51-,52+,53+,54-,55-,56-,57+,58-,59-,82+,83-/m0/s1
SMILES C[C@@H](C(=O)N[C@H](C(=O)N[C@@](C)(C(=O)NC(C)(C)C(=O)N1[C@@H](C[C@H](C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@](C(=O)N1C[C@@H](C[C@H]1C(=O)NC(C(=O)N1[C@H](CCC1)C(=O)N[C@H](CO)Cc1ccccc1)(C)C)O)(C)CC)CC)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)C)(C)C)(C)C)(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium tubakii DSM 12774 Ref.
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OrganismAcremonium tubakii DSM 12774
ReferenceSchiell,J.Antibiotics 54,(2001),220