input word = C00044840

Metabolite InformationStructural formula
Name Kahalalide D
Formula C31H45N7O5
Mw 595.3482176
CAS RN 180714-97-0
C_ID C00044840 ,
InChIKey KIIFEJGTOKNNQA-RLSGCWLBNA-N
InChICode InChI=1S/C31H45N7O5/c1-19(2)8-5-9-21-17-27(39)36-25(16-20-18-35-23-11-4-3-10-22(20)23)29(41)38-15-7-13-26(38)28(40)37-24(30(42)43-21)12-6-14-34-31(32)33/h3-4,10-11,18-19,21,24-26,35H,5-9,12-17H2,1-2H3,(H,36,39)(H,37,40)(H4,32,33,34)/t21-,24+,25-,26+/m1/s1
SMILES CC(C)CCC[C@@H]1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaPlacobranchidaeElysia rufescens Ref.
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