input word = C00029939

Metabolite InformationStructural formula
Name Cherimolacyclopeptide A
Formula C38H63N9O10S
Mw 837.44186003
CAS RN 668421-18-9
C_ID C00029939 ,
InChIKey AGHMQSFIQFUAPE-AUGQSERRNA-N
InChICode InChI=1S/C38H63N9O10S/c1-7-20(3)29-37(56)47-17-10-12-26(47)35(54)44-30(21(4)8-2)38(57)46-16-9-11-25(46)34(53)42-23(13-14-27(39)49)32(51)45-31(22(5)48)36(55)40-19-28(50)41-24(15-18-58-6)33(52)43-29/h20-26,29-31,48H,7-19H2,1-6H3,(H2,39,49)(H,40,55)(H,41,50)(H,42,53)(H,43,52)(H,44,54)(H,45,51)/t20-,21-,22+,23-,24-,25-,26-,29-,30-,31-/m0/s1
SMILES N1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C1=O)CCC(=O)N)CCC3)[C@H](CC)C)CCC2)[C@H](CC)C)CCSC)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona cherimola Ref.
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