EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:80067 - Ascidiacyclamide

ChEBI IDCHEBI:80067
ChEBI NameAscidiacyclamide
Stars
DownloadsMolfile
FormulaC36H52N8O6S2
Net Charge0
Average Mass756.996
Monoisotopic Mass756.34512
SMILES[H][C@]12N=C(O[C@@H]1C)[C@]([H])([C@@H](C)CC)NC(=O)c1csc(n1)[C@@H](C(C)C)NC(=O)[C@@]1([H])N=C(O[C@@H]1C)[C@]([H])([C@@H](C)CC)NC(=O)c1csc(n1)[C@@H](C(C)C)NC2=O
InChIInChI=1S/C36H52N8O6S2/c1-11-17(7)25-33-43-27(19(9)49-33)31(47)39-24(16(5)6)36-38-22(14-52-36)30(46)42-26(18(8)12-2)34-44-28(20(10)50-34)32(48)40-23(15(3)4)35-37-21(13-51-35)29(45)41-25/h13-20,23-28H,11-12H2,1-10H3,(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t17-,18-,19+,20+,23+,24+,25-,26-,27-,28-/m0/s1
InChIKeyQBRRPBPLIGDANJ-AXCFFLBZSA-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)
Ascidiacyclamide (CHEBI:80067) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
C15738KEGG COMPOUND
Registry NumbersSources
CAS:86701-12-4KEGG COMPOUND