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CHEBI:206477 - Desotamide A

ChEBI IDCHEBI:206477
ChEBI NameDesotamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52N8O7
Net Charge0
Average Mass696.850
Monoisotopic Mass696.39590
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)CNC(=O)[C@H](CC(N)=O)NC1=O
InChIInChI=1S/C35H52N8O7/c1-7-20(6)30-35(50)42-27(15-28(36)44)31(46)38-17-29(45)39-26(14-21-16-37-23-11-9-8-10-22(21)23)33(48)40-24(12-18(2)3)32(47)41-25(13-19(4)5)34(49)43-30/h8-11,16,18-20,24-27,30,37H,7,12-15,17H2,1-6H3,(H2,36,44)(H,38,46)(H,39,45)(H,40,48)(H,41,47)(H,42,50)(H,43,49)/t20-,24+,25-,26+,27+,30+/m1/s1
InChIKeyLJGXNPVJAKBNOK-DTWKRICWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/np960709c)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Desotamide A (CHEBI:206477) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(2S,8S,11S,14R,17S)-17-[(2R)-butan-2-yl]-8-(1H-indol-3-ylmethyl)-11,14-bis(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
Manual XrefsDatabases
157837ChemSpider