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CHEBI:2492 - Adouetine X

ChEBI IDCHEBI:2492
ChEBI NameAdouetine X
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H44N4O4
Net Charge0
Average Mass500.684
Monoisotopic Mass500.33626
SMILES[H][C@@]1([C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C)[C@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O
InChIInChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19-,22-,23-,24-,25-/m0/s1
InChIKeyOMVRKRVDDRUXPW-RJJCKBEYSA-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)
Adouetine X (CHEBI:2492) is a cyclic peptide (CHEBI:23449)
Synonym  Source
Adouetine XKEGG COMPOUND
Manual XrefsDatabases
C09993KEGG COMPOUND
C00001988KNApSAcK
Registry NumbersSources
CAS:19542-37-1KEGG COMPOUND