input word = C00031953

Metabolite InformationStructural formula
Name Keramamide A
Formula C49H63ClN8O9
Mw 942.44065338
CAS RN 137529-91-0
C_ID C00031953 ,
InChIKey HBGMRGYKZLZVKH-UHFFFAOYNA-N
InChICode InChI=1S/C49H63ClN8O9/c1-6-28(3)41-46(63)57-42(29(4)7-2)47(64)58(5)39(24-32-27-52-36-26-34(50)40(59)25-33(32)36)45(62)53-37(22-30-16-10-8-11-17-30)43(60)51-21-15-14-20-35(44(61)56-41)54-49(67)55-38(48(65)66)23-31-18-12-9-13-19-31/h8-13,16-19,25-29,35,37-39,41-42,52,59H,6-7,14-15,20-24H2,1-5H3,(H,51,60)(H,53,62)(H,56,61)(H,57,63)(H,65,66)(H2,54,55,67)/t28-,29-,35+,37+,38-,39+,41-,42+/m1/s1
SMILES N1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CCCCNC(=O)[C@@H]1Cc1ccccc1)NC(=O)N[C@@H](C(=O)O)Cc1ccccc1)[C@H](C)CC)[C@@H](CC)C)C)Cc1c[nH]c2c1cc(c(c2)Cl)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Theonella sp. Ref.
--Theonella swinhoei Ref.
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