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CHEBI:209393 - Cycloaspeptide A

ChEBI IDCHEBI:209393
ChEBI NameCycloaspeptide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H43N5O6
Net Charge0
Average Mass641.769
Monoisotopic Mass641.32133
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O
InChIInChI=1S/C36H43N5O6/c1-22(2)19-29-36(47)41(5)31(21-25-15-17-26(42)18-16-25)33(44)38-28-14-10-9-13-27(28)32(43)37-23(3)35(46)40(4)30(34(45)39-29)20-24-11-7-6-8-12-24/h6-18,22-23,29-31,42H,19-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,45)/t23-,29-,30-,31-/m0/s1
InChIKeyUPNQAUFZWGKHGZ-IAURBROLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (3652287)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cycloaspeptide A (CHEBI:209393) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,7S,10S,13S)-10-benzyl-4-[(4-hydroxyphenyl)methyl]-5,11,13-trimethyl-7-(2-methylpropyl)-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone
Manual XrefsDatabases
9471654ChemSpider