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CHEBI:198724 - Asperterrestide A

ChEBI IDCHEBI:198724
ChEBI NameAsperterrestide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32N4O5
Net Charge0
Average Mass480.565
Monoisotopic Mass480.23727
SMILESCCC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)c2ccccc2NC(=O)[C@@H]([C@@H](O)c2ccccc2)N(C)C1=O
InChIInChI=1S/C26H32N4O5/c1-5-15(2)20-26(35)30(4)21(22(31)17-11-7-6-8-12-17)25(34)28-19-14-10-9-13-18(19)24(33)27-16(3)23(32)29-20/h6-16,20-22,31H,5H2,1-4H3,(H,27,33)(H,28,34)(H,29,32)/t15?,16-,20-,21-,22+/m1/s1
InChIKeyAQBNNSWAQPPMPF-QZPRSPPASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (23806112)
ChEBI Ontology
Outgoing Relation(s)
Asperterrestide A (CHEBI:198724) is a azamacrocycle (CHEBI:52898)
Asperterrestide A (CHEBI:198724) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4R,7R,10R)-7-butan-2-yl-4-[(S)-hydroxy(phenyl)methyl]-5,10-dimethyl-2,5,8,11-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-3,6,9,12-tetrone
Manual XrefsDatabases
30770984ChemSpider