EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:80066 - Patellamide D

ChEBI IDCHEBI:80066
ChEBI NamePatellamide D
Stars
DownloadsMolfile
FormulaC38H48N8O6S2
Net Charge0
Average Mass776.986
Monoisotopic Mass776.31382
SMILES[H][C@]12N=C(O[C@@H]1C)[C@]([H])([C@@H](C)CC)NC(=O)c1csc(n1)[C@@H](Cc1ccccc1)NC(=O)[C@@]1([H])N=C(O[C@@H]1C)[C@]([H])([C@@H](C)CC)NC(=O)c1csc(n1)[C@@H](C)NC2=O
InChIInChI=1S/C38H48N8O6S2/c1-8-18(3)27-35-45-29(21(6)51-35)33(49)39-20(5)37-41-25(16-53-37)31(47)43-28(19(4)9-2)36-46-30(22(7)52-36)34(50)40-24(15-23-13-11-10-12-14-23)38-42-26(17-54-38)32(48)44-27/h10-14,16-22,24,27-30H,8-9,15H2,1-7H3,(H,39,49)(H,40,50)(H,43,47)(H,44,48)/t18-,19-,20+,21+,22+,24+,27-,28-,29-,30-/m0/s1
InChIKeyHZUISCIYFHWTKA-WLCQTKGUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Patellamide D (CHEBI:80066) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
C15737KEGG COMPOUND
Registry NumbersSources
CAS:120853-15-8KEGG COMPOUND