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CHEBI:218015 - Cycloaspeptide C

ChEBI IDCHEBI:218015
ChEBI NameCycloaspeptide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H41N5O6
Net Charge0
Average Mass627.742
Monoisotopic Mass627.30568
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O
InChIInChI=1S/C35H41N5O6/c1-21(2)18-29-35(46)40(4)30(20-24-14-16-25(41)17-15-24)34(45)37-27-13-9-8-12-26(27)32(43)36-22(3)31(42)38-28(33(44)39-29)19-23-10-6-5-7-11-23/h5-17,21-22,28-30,41H,18-20H2,1-4H3,(H,36,43)(H,37,45)(H,38,42)(H,39,44)/t22-,28-,29-,30-/m0/s1
InChIKeyWBLLMCDBMQQWEY-BJPINVTDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (3652287)
ChEBI Ontology
Outgoing Relation(s)
Cycloaspeptide C (CHEBI:218015) is a azamacrocycle (CHEBI:52898)
Cycloaspeptide C (CHEBI:218015) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,7S,10S,13S)-10-benzyl-4-[(4-hydroxyphenyl)methyl]-5,13-dimethyl-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
24620691ChemSpider