input word = C00015926

Metabolite InformationStructural formula
Name Cephaibol P
Formula C89H137N19O25
Mw 1872.00330107
CAS RN 304911-41-9
C_ID C00015926 ,
InChIKey CAUFVUKRMWMYQC-TZBCGGDPNA-N
InChICode InChI=1S/C89H137N19O25/c1-19-47(5)65(99-79(129)85(10,11)100-69(118)55(34-36-64(91)115)96-80(130)89(18,20-2)105-71(120)58(92-49(7)111)40-51-30-25-22-26-31-51)75(124)98-66(48(6)110)76(125)104-84(8,9)78(128)97-56(38-46(3)4)70(119)102-88(16,17)82(132)107-43-52(112)41-61(107)73(122)93-54(33-35-63(90)114)68(117)101-87(14,15)83(133)108-44-53(113)42-62(108)74(123)103-86(12,13)81(131)106-37-27-32-60(106)72(121)94-57(39-50-28-23-21-24-29-50)67(116)95-59(45-109)77(126)127/h21-26,28-31,46-48,52-62,65-66,109-110,112-113H,19-20,27,32-45H2,1-18H3,(H2,90,114)(H2,91,115)(H,92,111)(H,93,122)(H,94,121)(H,95,116)(H,96,130)(H,97,128)(H,98,124)(H,99,129)(H,100,118)(H,101,117)(H,102,119)(H,103,123)(H,104,125)(H,105,120)(H,126,127)/t47-,48+,52+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,89+/m0/s1
SMILES c1(C[C@@H](C(=O)N[C@@](C)(C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C(=O)N2[C@@H](C[C@H](C2)O)C(=O)N[C@H](C(=O)NC(C(=O)N2C[C@@H](C[C@H]2C(=O)NC(C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)Cc2ccccc2)(C)C)O)(C)C)CCC(=O)N)C)CC)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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