input word = C00044837

Metabolite InformationStructural formula
Name Kahalalide A
Formula C46H67N6O11
Mw 879.48678203
CAS RN 179733-11-0
C_ID C00044837 ,
InChIKey WEBZVDAMOOBHRC-RIHMBNKRNA-N
InChICode InChI=1S/C46H67N7O11/c1-9-27(6)39(56)47-35(23-31-18-14-11-15-19-31)43(60)53-38-29(8)64-46(63)36(24-54)51-44(61)37(28(7)55)52-42(59)33(21-26(4)5)48-41(58)34(22-30-16-12-10-13-17-30)49-40(57)32(20-25(2)3)50-45(38)62/h10-19,25-29,32-38,54-55H,9,20-24H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,62)(H,51,61)(H,52,59)(H,53,60)/t27-,28+,29+,32-,33+,34+,35+,36-,37-,38-/m0/s1
SMILES C1(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@@H](N1)CO)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC)C)CC(C)C)Cc1ccccc1)CC(C)C)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
AnimaliaPlacobranchidaeElysia rufescens Ref.
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