input word = C00043986

Metabolite InformationStructural formula
Name Tolaasin C
(-)-Tolaasin C
Formula C94H165N21O26
Mw 2004.2234646
CAS RN 709024-60-2
C_ID C00043986 ,
InChIKey UGYMVVYXANRMNC-PIJIAJISNA-N
InChICode InChI=1S/C94H165N21O26/c1-21-25-26-30-56(120)44-70(122)98-58(24-4)93(139)115-39-29-32-68(115)86(132)107-66(45-117)84(130)105-64(42-48(7)8)82(128)110-72(51(13)14)89(135)108-67(46-118)85(131)106-65(43-49(9)10)83(129)111-74(53(17)18)90(136)112-73(52(15)16)88(134)101-59(33-34-69(97)121)78(124)104-63(41-47(5)6)81(127)109-71(50(11)12)87(133)99-57(23-3)77(123)114-76(55(20)119)92(138)113-75(54(19)22-2)91(137)102-61(36-40-116)80(126)100-60(35-38-96)79(125)103-62(94(140)141)31-27-28-37-95/h23-24,47-56,59-68,71-76,116-120H,21-22,25-46,95-96H2,1-20H3,(H2,97,121)(H,98,122)(H,99,133)(H,100,126)(H,101,134)(H,102,137)(H,103,125)(H,104,124)(H,105,130)(H,106,131)(H,107,132)(H,108,135)(H,109,127)(H,110,128)(H,111,129)(H,112,136)(H,113,138)(H,114,123)(H,140,141)/b57-23+,58-24-/t54-,55+,56-,59+,60-,61+,62+,63-,64+,65-,66-,67-,68+,71-,72-,73+,74+,75-,76-/m0/s1
SMILES N(C(=O)/C(=C\C)/NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)/C(=C/C)/NC(=O)C[C@H](CCCCC)O)[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CCCCN)C(=O)O)CCN)CCO)[C@@H](C)CC)[C@H](O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas tolaasii Ref.
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