input word = C00049462

Metabolite InformationStructural formula
Name Kahalalide K
(+)-Kahalalide K
Formula C46H65N7O11
Mw 891.47420597
CAS RN 240819-09-4
C_ID C00049462 ,
InChIKey YFGTYMAKKKYXPR-ZYRBUDAGNA-N
InChICode InChI=1S/C46H65N7O11/c1-26(2)12-8-6-11-15-33-23-39(57)49-35(20-29-13-9-7-10-14-29)45(62)53-25-32(55)22-37(53)43(60)48-28(5)41(58)52-40(27(3)4)44(61)50-34(24-38(47)56)42(59)51-36(46(63)64-33)21-30-16-18-31(54)19-17-30/h7,9-10,13-14,16-19,26-28,32-37,40,54-55H,6,8,11-12,15,20-25H2,1-5H3,(H2,47,56)(H,48,60)(H,49,57)(H,50,61)(H,51,59)(H,52,58)/t28-,32-,33+,34-,35-,36+,37+,40+/m1/s1
SMILES N1C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)C[C@@H](OC(=O)[C@@H]1Cc1ccc(cc1)O)CCCCCC(C)C)Cc1ccccc1)C[C@@H](C2)O)C)C(C)C)CC(=O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
PlantaeBryopsidaceaeBryopsis sp. Ref.
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