input word = C00052031

Metabolite InformationStructural formula
Name D-Lysergyl tripeptide lactam
Formula C33H35N5O4
Mw 565.26890464
CAS RN
C_ID C00052031
InChIKey
InChICode InChI=1S/C33H35N5O4/c1-19(31(40)38-28(14-20-8-4-3-5-9-20)32(41)37-13-7-12-26(37)33(38)42)35-30(39)22-15-24-23-10-6-11-25-29(23)21(17-34-25)16-27(24)36(2)18-22/h3-6,8-11,15,17,19,22,26-28,34H,7,12-14,16,18H2,1-2H3,(H,35,39)/t19-,22?,26-,27+,28-/m0/s1
SMILES c12c3cccc1[nH]cc2C[C@@H]1C3=CC(CN1C)C(=O)N[C@@H](C)C(=O)N1[C@H](C(=O)N2[C@H](C1=O)CCC2)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
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