input word = C00044529

Metabolite InformationStructural formula
Name Aplidine
Formula C57H87N7O15
Mw 1109.62601516
CAS RN 137219-37-5
C_ID C00044529 ,
InChIKey UUSZLLQJYRSZIS-HJLYLWBTNA-N
InChICode InChI=1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1
SMILES C1(=O)[C@H]([C@H](OC(=O)[C@@H](N(C(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@H](C(=O)[C@@H](OC(=O)C[C@@H]([C@H](N1)[C@H](CC)C)O)C(C)C)C)CC(C)C)CCC2)C)Cc1ccc(cc1)OC)C)NC(=O)[C@H](N(C(=O)[C@H]1N(CCC1)C(=O)C(=O)C)C)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeAplidium albicans Ref.
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