input word = C00029231

Metabolite InformationStructural formula
Name Waiakeamide
Formula C37H49N7O8S3
Mw 815.28047378
CAS RN 179667-64-2
C_ID C00029231 ,
InChIKey RCWNHOHQQLVKBJ-YVXGMERENA-N
InChICode InChI=1S/C37H49N7O8S3/c1-54(51)19-14-24-36(49)44-18-8-13-30(44)37(50)43-17-7-12-29(43)32(46)39-25(15-20-55(2)52)35(48)42-16-6-11-28(42)33(47)40-26(21-23-9-4-3-5-10-23)34-41-27(22-53-34)31(45)38-24/h3-5,9-10,22,24-26,28-30H,6-8,11-21H2,1-2H3,(H,38,45)(H,39,46)(H,40,47)/t24-,25-,26-,28-,29-,30-,54-,55-/m0/s1
SMILES s1cc2nc1[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@H]4N(C(=O)[C@@H](NC2=O)CC[S@@](=O)C)CCC4)CCC3)CC[S@@](=O)C)CCC1)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Anthranilate L-Lys L-Asp
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona nigra Ref.
AnimaliaChalinidaeHaliclona sp. Ref.
--Ireinia dendroides Ref.
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