input word = C00017867

Metabolite InformationStructural formula
Name Leucinostatin H
Formula C57H103N11O12
Mw 1133.77876783
CAS RN 109539-58-4
C_ID C00017867 ,
InChIKey YSPNHJIQHQTTOK-UHFFFAOYNA-N
InChICode InChI=1S/C57H103N11O12/c1-21-36(10)22-23-44(70)67-30-37(11)29-42(67)50(75)61-39(26-32(2)3)48(73)63-45(46(71)35(8)9)51(76)65-56(15,16)53(78)62-40(27-33(4)5)47(72)60-41(28-34(6)7)49(74)64-57(17,18)54(79)66-55(13,14)52(77)58-25-24-43(69)59-38(12)31-68(19,20)80/h22-23,32-42,45-46,71H,21,24-31H2,1-20H3,(H,58,77)(H,59,69)(H,60,72)(H,61,75)(H,62,78)(H,63,73)(H,64,74)(H,65,76)(H,66,79)/b23-22-/t36-,37+,38+,39+,40+,41+,42-,45-,46+/m1/s1
SMILES C(=O)([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H]([C@@H](O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1N(C[C@H](C1)C)C(=O)/C=C\[C@H](C)CC)NC(C(=O)NC(C(=O)NCCC(=O)N[C@H](CN(=O)(C)C)C)(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePaecilomyces marquandii Ref.
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