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CHEBI:34802 - JSTX-3

ChEBI IDCHEBI:34802
ChEBI NameJSTX-3
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H47N7O6
Net Charge0
Average Mass565.716
Monoisotopic Mass565.35878
SMILESNCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
InChIInChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
InChIKeySJLRBGDPTALRDM-QFIPXVFZSA-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)
JSTX-3 (CHEBI:34802) is a N-acyl-amino acid (CHEBI:51569)
Synonyms  Source
JSTX-3KEGG COMPOUND
Joro spider toxinKEGG COMPOUND
Manual XrefsDatabases
C13931KEGG COMPOUND
C00025922KNApSAcK
Registry NumbersSources
CAS:112163-33-4KEGG COMPOUND