input word = C00016500

Metabolite InformationStructural formula
Name Siamycin II
Formula C98H133N23O26S4
Mw 2175.86749451
CAS RN 164802-69-1
C_ID C00016500 ,
InChIKey HQDWMGCEUREUTK-FKJIICCVNA-N
InChICode InChI=1S/C98H133N23O26S4/c1-11-50(7)80-95(143)104-41-76(127)108-68(43-122)91(139)117-71-46-150-151-47-72(94(142)113-64(33-55-23-17-14-18-24-55)88(136)116-67(98(146)147)35-57-38-100-60-26-20-19-25-59(57)60)118-96(144)79(49(5)6)120-97(145)81(51(8)12-2)121-83(131)53(10)106-86(134)62(34-56-27-29-58(123)30-28-56)107-75(126)40-103-85(133)69-44-148-149-45-70(92(140)111-61(31-48(3)4)84(132)102-42-78(129)119-80)109-74(125)37-66(115-89(137)65(36-73(99)124)114-93(71)141)90(138)112-63(32-54-21-15-13-16-22-54)87(135)105-52(9)82(130)101-39-77(128)110-69/h13-30,38,48-53,61-72,79-81,100,122-123H,11-12,31-37,39-47H2,1-10H3,(H2,99,124)(H,101,130)(H,102,132)(H,103,133)(H,104,143)(H,105,135)(H,106,134)(H,107,126)(H,108,127)(H,109,125)(H,110,128)(H,111,140)(H,112,138)(H,113,142)(H,114,141)(H,115,137)(H,116,136)(H,117,139)(H,118,144)(H,119,129)(H,120,145)(H,121,131)(H,146,147)/t50-,51+,52+,53+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,79-,80+,81+/m1/s1
SMILES [C@@H]1(C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]3NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N[C@H](C(=O)N1)CSSC3)NC(=O)[C@@H](NC2=O)CC(=O)N)Cc1ccccc1)C)Cc1ccc(cc1)O)C)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c2ccccc2[nH]c1)C(=O)O)Cc1ccccc1)CO)[C@H](C)CC)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. AA6532 Ref.
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