CHEBI:34542 - Argiotoxin 659

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ChEBI Name Argiotoxin 659
ChEBI ID CHEBI:34542
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H53N11O5
Net Charge 0
Average Mass 659.824
Monoisotopic Mass 659.42311
InChI InChI=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
InChIKey ONYMEUPDKAAGRV-UPVQGACJSA-N
SMILES N[C@@H](CCCNC(N)=N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Argiotoxin 659 (CHEBI:34542) is a N-acyl-amino acid (CHEBI:51569)
Synonyms Sources
Argiopinin III KEGG COMPOUND
Argiotoxin 659 KEGG COMPOUND
Manual Xref Database
C13929 KEGG COMPOUND
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Registry Number Type Source
111944-83-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014