input word = C00044844

Metabolite InformationStructural formula
Name Kahalalide H
Formula C55H82N8O16
Mw 1110.58487863
CAS RN 190710-80-6
C_ID C00044844 ,
InChIKey MWNLJNAPIYDPPC-OBEHHOCHNA-N
InChICode InChI=1S/C55H82N8O16/c1-31(2)16-10-7-15-21-36(66)26-45(68)56-40(27-46(69)70)50(73)58-39(23-34-17-11-8-12-18-34)49(72)60-43(30-65)52(75)62-47(33(5)6)54(77)63-28-37(67)25-44(63)53(76)61-42(29-64)51(74)57-38(22-32(3)4)48(71)59-41(55(78)79)24-35-19-13-9-14-20-35/h8-9,11-14,17-20,31-33,36-44,47,64-67H,7,10,15-16,21-30H2,1-6H3,(H,56,68)(H,57,74)(H,58,73)(H,59,71)(H,60,72)(H,61,76)(H,62,75)(H,69,70)(H,78,79)/t36-,37+,38+,39+,40+,41-,42-,43-,44-,47+/m0/s1
SMILES C(=O)(C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(C)C)CO)O)NC(=O)C[C@@H](O)CCCCCC(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaPlacobranchidaeElysia rufescens Ref.
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