input word = C00043987

Metabolite InformationStructural formula
Name Tolaasin D
(-)-Tolaasin D
Formula C94H163N21O25
Mw 1986.21289991
CAS RN 709014-55-1
C_ID C00043987 ,
InChIKey PQXDAQPDGVWOTE-HFSKJMMHNA-N
InChICode InChI=1S/C94H163N21O25/c1-21-25-26-30-56(119)44-70(121)98-58(24-4)93(138)115-39-29-32-68(115)86(131)107-66(45-117)84(129)105-64(42-48(7)8)82(127)110-72(51(13)14)89(134)108-67(46-118)85(130)106-65(43-49(9)10)83(128)111-74(53(17)18)90(135)112-73(52(15)16)88(133)101-59(33-34-69(97)120)78(123)104-63(41-47(5)6)81(126)109-71(50(11)12)87(132)99-57(23-3)77(122)114-76-55(20)140-94(139)62(31-27-28-37-95)103-79(124)60(35-38-96)100-80(125)61(36-40-116)102-91(136)75(54(19)22-2)113-92(76)137/h23-24,47-56,59-68,71-76,116-119H,21-22,25-46,95-96H2,1-20H3,(H2,97,120)(H,98,121)(H,99,132)(H,100,125)(H,101,133)(H,102,136)(H,103,124)(H,104,123)(H,105,129)(H,106,130)(H,107,131)(H,108,134)(H,109,126)(H,110,127)(H,111,128)(H,112,135)(H,113,137)(H,114,122)/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 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)C[C@H](CCCCC)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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