input word = C00043984

Metabolite InformationStructural formula
Name Tolaasin A
(-)-Tolaasin A
Formula C91H155N21O26
Mw 1958.14521428
CAS RN 709019-79-4
C_ID C00043984 ,
InChIKey FLJZFCSEBDJGSB-CDWPRJSUNA-N
InChICode InChI=1S/C91H155N21O26/c1-20-51(18)72-88(134)99-57(34-38-113)77(123)97-56(33-36-93)76(122)100-58(27-23-24-35-92)91(137)138-52(19)73(89(135)110-72)111-74(120)53(21-2)96-84(130)68(47(10)11)106-78(124)59(39-44(4)5)101-75(121)55(31-32-65(94)116)98-85(131)70(49(14)15)109-87(133)71(50(16)17)108-80(126)61(41-46(8)9)103-82(128)63(43-115)105-86(132)69(48(12)13)107-79(125)60(40-45(6)7)102-81(127)62(42-114)104-83(129)64-28-26-37-112(64)90(136)54(22-3)95-66(117)29-25-30-67(118)119/h21-22,44-52,55-64,68-73,113-115H,20,23-43,92-93H2,1-19H3,(H2,94,116)(H,95,117)(H,96,130)(H,97,123)(H,98,131)(H,99,134)(H,100,122)(H,101,121)(H,102,127)(H,103,128)(H,104,129)(H,105,132)(H,106,124)(H,107,125)(H,108,126)(H,109,133)(H,110,135)(H,111,120)(H,118,119)/b53-21-,54-22-/t51-,52+,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,68+,69+,70+,71-,72-,73-/m0/s1
SMILES C1(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H]1[C@@H](C)CC)NC(=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)CCCC(=O)O)C)CCCCN)CCN)CCO
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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