input word = C00026877

Metabolite InformationStructural formula
Name Axinellin C
Cyclo(L-leucyl-L-threonyl-L-valyl-L-prolyl-L-tryptophyl-L-prolyl-L-phenylalanyl-L-prolyl)
Formula C50H67N9O9
Mw 937.5061748
CAS RN 480995-99-1
C_ID C00026877 ,
InChIKey PQHJKVOBHFTBOJ-IDUVOUOFNA-N
InChICode InChI=1S/C50H67N9O9/c1-28(2)24-35-43(61)56-42(30(5)60)47(65)55-41(29(3)4)50(68)59-23-13-20-40(59)46(64)54-37(26-32-27-51-34-17-10-9-16-33(32)34)49(67)58-22-12-19-39(58)45(63)53-36(25-31-14-7-6-8-15-31)48(66)57-21-11-18-38(57)44(62)52-35/h6-10,14-17,27-30,35-42,51,60H,11-13,18-26H2,1-5H3,(H,52,62)(H,53,63)(H,54,64)(H,55,65)(H,56,61)/t30-,35+,36-,37-,38+,39+,40+,41+,42+/m1/s1
SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)O)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
PlantaeFabaceaeStylotella aurantium Ref.
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