EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:10121 - Zizyphine A

ChEBI IDCHEBI:10121
ChEBI NameZizyphine A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H49N5O6
Net Charge0
Average Mass611.784
Monoisotopic Mass611.36828
SMILES[H][C@@]12CCCN1C(=O)[C@@]1([H])N(C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C)[C@@H](C)CC)CC[C@]1([H])Oc1ccc(c(OC)c1)/C=C\NC2=O
InChIInChI=1S/C33H49N5O6/c1-8-20(3)27(35-31(40)28(36(5)6)21(4)9-2)32(41)38-18-15-25-29(38)33(42)37-17-10-11-24(37)30(39)34-16-14-22-12-13-23(44-25)19-26(22)43-7/h12-14,16,19-21,24-25,27-29H,8-11,15,17-18H2,1-7H3,(H,34,39)(H,35,40)/b16-14-/t20-,21-,24-,25-,27-,28-,29-/m0/s1
InChIKeyNXCUAFMNFVTKHA-YEEQOOFQSA-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)
Zizyphine A (CHEBI:10121) is a cyclic peptide (CHEBI:23449)
Synonym  Source
Zizyphine AKEGG COMPOUND
Manual XrefsDatabases
C10015KEGG COMPOUND
C00002010KNApSAcK
Registry NumbersSources
CAS:51059-42-8KEGG COMPOUND