input word = C00029943

Metabolite InformationStructural formula
Name Cherimolacyclopeptide F
Formula C45H69N9O10S2
Mw 959.46088095
CAS RN 869731-02-2
C_ID C00029943 ,
InChIKey MSOKWXAMNQYLTA-MMZZBRPMNA-N
InChICode InChI=1S/C45H69N9O10S2/c1-7-27(4)38-43(62)50-32(23-28-12-14-29(55)15-13-28)40(59)51-33(22-26(2)3)45(64)54-19-9-11-35(54)42(61)49-31(17-21-66-6)44(63)53-18-8-10-34(53)41(60)47-24-36(56)48-30(16-20-65-5)39(58)46-25-37(57)52-38/h12-15,26-27,30-35,38,55H,7-11,16-25H2,1-6H3,(H,46,58)(H,47,60)(H,48,56)(H,49,61)(H,50,62)(H,51,59)(H,52,57)/t27-,30+,31-,32-,33-,34-,35-,38-/m0/s1
SMILES N1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CCSC)C(=O)N2[C@H](C(=O)NCC(=O)N[C@@H](C1=O)CCSC)CCC2)CC(C)C)Cc1ccc(cc1)O)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona cherimola Ref.
zoom in