CHEBI:2492 - Adouetine X

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Adouetine X
ChEBI ID CHEBI:2492
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H44N4O4
Net Charge 0
Average Mass 500.674
Monoisotopic Mass 500.33626
InChI InChI=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
InChIKey OMVRKRVDDRUXPW-RJJCKBEYSA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C)[C@@H](Oc2ccc(cc2)\C=C/NC1=O)C(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Adouetine X (CHEBI:2492) is a cyclic peptide (CHEBI:23449)
Synonym Source
Adouetine X KEGG COMPOUND
Manual Xrefs Databases
C00001988 KNApSAcK
C09993 KEGG COMPOUND
View more database links
Registry Number Type Source
19542-37-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014