input word = C00015922

Metabolite InformationStructural formula
Name Cephaibol A
Formula C82H127N17O20
Mw 1669.94432962
CAS RN 304911-38-4
C_ID C00015922 ,
InChIKey GRLRXSCBAQPCSF-MMOJMVIINA-N
InChICode InChI=1S/C82H127N17O20/c1-20-81(18,91-63(108)54(37-46(3)4)87-60(105)42-84-67(112)75(6,7)93-69(114)77(10,11)95-70(115)78(12,13)94-68(113)76(8,9)89-62(107)55(85-47(5)101)39-49-31-26-23-27-32-49)71(116)96-80(16,17)73(118)98-43-51(102)40-57(98)65(110)88-53(34-35-59(83)104)61(106)92-82(19,21-2)74(119)99-44-52(103)41-58(99)66(111)90-79(14,15)72(117)97-36-28-33-56(97)64(109)86-50(45-100)38-48-29-24-22-25-30-48/h22-27,29-32,46,50-58,100,102-103H,20-21,28,33-45H2,1-19H3,(H2,83,104)(H,84,112)(H,85,101)(H,86,109)(H,87,105)(H,88,110)(H,89,107)(H,90,111)(H,91,108)(H,92,106)(H,93,114)(H,94,113)(H,95,115)(H,96,116)/t50-,51+,52+,53-,54-,55-,56-,57-,58-,81+,82+/m0/s1
SMILES c1(C[C@@H](C(=O)NC(C)(C(=O)NC(C)(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@](C)(C(=O)NC(C)(C)C(=O)N2[C@@H](C[C@H](C2)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@](C(=O)N2C[C@@H](C[C@H]2C(=O)NC(C(=O)N2[C@@H](CCC2)C(=O)N[C@H](CO)Cc2ccccc2)(C)C)O)(C)CC)CC)CC(C)C)C)C)NC(=O)C)ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium tubakii DSM 12774 Ref.
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