input word = C00039553

Metabolite InformationStructural formula
Name Kahalalide W
(+)-Kahalalide W
Formula C46H65N7O10
Mw 875.47929135
CAS RN 1025752-44-6
C_ID C00039553 ,
InChIKey LJNDDJVXTIZTOA-YGSLEFQONA-N
InChICode InChI=1S/C46H65N7O10/c1-27(2)13-8-6-11-16-33-25-39(56)49-35(23-30-14-9-7-10-15-30)45(61)53-22-12-17-37(53)43(59)48-29(5)41(57)52-40(28(3)4)44(60)50-34(26-38(47)55)42(58)51-36(46(62)63-33)24-31-18-20-32(54)21-19-31/h7,9-10,14-15,18-21,27-29,33-37,40,54H,6,8,11-13,16-17,22-26H2,1-5H3,(H2,47,55)(H,48,59)(H,49,56)(H,50,60)(H,51,58)(H,52,57)/t29-,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)CCC2)C)C(C)C)CC(=O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
AnimaliaPlacobranchidaeElysia rufescens Ref.
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OrganismElysia rufescens
ReferenceRao,J.Nat.Prod.,71,(2008),772