EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:157616 - xanthoxycyclin E

Default Structure
ChEBI IDCHEBI:157616
ChEBI Namexanthoxycyclin E
Stars
Last Modified22 August 2023
Submittermwilliams
DownloadsMolfile
FormulaC34H49N7O10
Net Charge0
Average Mass715.805
Monoisotopic Mass715.35409
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C34H49N7O10/c1-3-19(2)27-32(49)35-21(15-20-9-5-4-6-10-20)28(45)36-22(16-42)29(46)37-23(17-43)30(47)38-24(18-44)33(50)41-14-8-12-26(41)34(51)40-13-7-11-25(40)31(48)39-27/h4-6,9-10,19,21-27,42-44H,3,7-8,11-18H2,1-2H3,(H,35,49)(H,36,45)(H,37,46)(H,38,47)(H,39,48)/t19-,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKeyPPKHNKRWEUXSBF-FNRPHRCSSA-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 E (CHEBI:157616) is a orbitide (CHEBI:157605)
Synonyms  Source
cyclo-(Ser-Ser-Ser-Pro-Pro-Ile-Phe)SUBMITTER
cyclo-SSSPPIFSUBMITTER