input word = C00011225

Metabolite InformationStructural formula
Name Ergostine
Formula C34H37N5O5
Mw 595.27946933
CAS RN 2854-38-8
C_ID C00011225 ,
InChIKey BOLCFGMGGWCOOE-JYTUTRFMNA-N
InChICode InChI=1S/C34H37N5O5/c1-3-33(36-30(40)22-16-24-23-11-7-12-25-29(23)21(18-35-25)17-26(24)37(2)19-22)32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33/h4-7,9-12,16,18,22,26-28,35,43H,3,8,13-15,17,19H2,1-2H3,(H,36,40)/t22-,26-,27+,28+,33-,34+/m1/s1
SMILES c1c2c3c(cc1)C1=C[C@H](CN([C@@H]1Cc3c[nH]2)C)C(=O)N[C@]1(C(=O)N2[C@@](O1)([C@H]1N(C(=O)[C@@H]2Cc2ccccc2)CCC1)O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Ala IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps purpurea Ref.
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