input word = C00050042

Metabolite InformationStructural formula
Name Cryptophycin 176
Formula C33H39ClN2O8
Mw 626.23949395
CAS RN 186593-86-2
C_ID C00050042 ,
InChIKey ZOBPQYRFOOKIQZ-MSJGKDJCNA-N
InChICode InChI=1S/C33H39ClN2O8/c1-19(2)16-27-33(41)43-26(20(3)30-31(44-30)22-8-5-4-6-9-22)10-7-11-28(38)36-24(32(40)35-15-14-29(39)42-27)18-21-12-13-25(37)23(34)17-21/h4-9,11-13,17,19-20,24,26-27,30-31,37H,10,14-16,18H2,1-3H3,(H,35,40)(H,36,38)/b11-7+/t20-,24+,26-,27-,30+,31+/m0/s1
SMILES [C@H]1(C/C=C/C(=O)N[C@@H](C(=O)NCCC(=O)O[C@H](C(=O)O1)CC(C)C)Cc1cc(c(cc1)O)Cl)[C@@H]([C@@H]1[C@H](O1)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeNostoc sp. GSV 244 Ref.
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