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CHEBI:157612 - xanthoxycyclin A

ChEBI IDCHEBI:157612
ChEBI Namexanthoxycyclin A
Stars
Last Modified22 August 2023
Submittermwilliams
DownloadsMolfile
FormulaC35H48N6O6
Net Charge0
Average Mass648.805
Monoisotopic Mass648.36353
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O
InChIInChI=1S/C35H48N6O6/c1-6-22(4)30-35(47)40-26(17-21(2)3)34(46)39-27(18-24-13-9-7-10-14-24)32(44)36-20-29(42)38-28(19-25-15-11-8-12-16-25)33(45)37-23(5)31(43)41-30/h7-16,21-23,26-28,30H,6,17-20H2,1-5H3,(H,36,44)(H,37,45)(H,38,42)(H,39,46)(H,40,47)(H,41,43)/t22-,23-,26-,27-,28-,30-/m0/s1
InChIKeyUAXDNXKGROWHSR-GVTFFUMCSA-N
Species of MetaboliteComponentSourceComments
Melicope xanthoxyloides (ncbitaxon:1312821) leaf (BTO:0000713) PubMed (32817170)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
xanthoxycyclin A (CHEBI:157612) is a orbitide (CHEBI:157605)
Synonyms  Source
cyclo-GFAILFSUBMITTER
cyclo-(Gly-Phe-Ala-Iso-Leu-Phe)SUBMITTER