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CHEBI:34542 - Argiotoxin 659

ChEBI IDCHEBI:34542
ChEBI NameArgiotoxin 659
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H53N11O5
Net Charge0
Average Mass659.837
Monoisotopic Mass659.42311
SMILESN=C(N)NCCC[C@H](N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cnc2cccc(O)c12
InChIInChI=1S/C31H53N11O5/c32-22(8-5-16-40-31(34)35)29(46)38-17-7-14-37-13-6-12-36-11-2-1-3-15-39-30(47)24(19-26(33)44)42-27(45)18-21-20-41-23-9-4-10-25(43)28(21)23/h4,9-10,20,22,24,36-37,41,43H,1-3,5-8,11-19,32H2,(H2,33,44)(H,38,46)(H,39,47)(H,42,45)(H4,34,35,40)/t22-,24-/m0/s1
InChIKeyONYMEUPDKAAGRV-UPVQGACJSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Argiotoxin 659 (CHEBI:34542) is a N-acyl-amino acid (CHEBI:51569)
Synonyms  Source
Argiotoxin 659KEGG COMPOUND
Argiopinin IIIKEGG COMPOUND
Manual XrefsDatabases
C13929KEGG COMPOUND
Registry NumbersSources
CAS:111944-83-3KEGG COMPOUND