CHEBI:67806 - Joro spider toxin-4

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ChEBI Name Joro spider toxin-4
ChEBI ID CHEBI:67806
Definition A natural product found in Nephila clavata.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C28H48N10O7
Net Charge 0
Average Mass 636.74350
Monoisotopic Mass 636.37074
InChI InChI=1S/C28H48N10O7/c29-10-4-7-20(38-25(43)19(30)6-5-13-36-28(32)33)26(44)34-11-2-1-3-12-35-27(45)21(16-23(31)41)37-24(42)14-17-8-9-18(39)15-22(17)40/h8-9,15,19-21,39-40H,1-7,10-14,16,29-30H2,(H2,31,41)(H,34,44)(H,35,45)(H,37,42)(H,38,43)(H4,32,33,36)/t19-,20-,21-/m0/s1
InChIKey CRZSEQMZZYKNLU-ACRUOGEOSA-N
SMILES NCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Metabolite of Species Details
Nephila clavata (NCBI:txid70342) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Joro spider toxin-4 (CHEBI:67806) has role metabolite (CHEBI:25212)
Joro spider toxin-4 (CHEBI:67806) is a peptide (CHEBI:16670)
Synonyms Sources
(S)-N1-(5-((S)-5-Amino-2-((S)-2-amino-5-guanidinopentanamido)pentanamido)pentyl)-2-(2-(2,4-dihydroxyphenyl)acetamido)succinamide ChEBI
JSTX-4 ChEBI
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:N-acyl-amino acid(CHEBI:51569); ISA:amino acid amide(CHEBI:22475); ISA:acetamides(CHEBI:22160); ISA:resorcinols(CHEBI:33572); ISA:aralkylamine(CHEBI:18000); ISA:fatty amide(CHEBI:29348); ISA:carboxamide(CHEBI:37622); ISA:guanidines(CHEBI:24436); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:organic heterocyclic compound(CHEBI:24532); ISA:alkylamine(CHEBI:13759); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586); ISA:imine(CHEBI:24783);