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CHEBI:227694 - Desotamide B

ChEBI IDCHEBI:227694
ChEBI NameDesotamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50N8O7
Net Charge0
Average Mass682.823
Monoisotopic Mass682.38025
SMILESCC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC1=O
InChIInChI=1S/C34H50N8O7/c1-17(2)11-23-31(46)40-24(12-18(3)4)33(48)42-29(19(5)6)34(49)41-26(14-27(35)43)30(45)37-16-28(44)38-25(32(47)39-23)13-20-15-36-22-10-8-7-9-21(20)22/h7-10,15,17-19,23-26,29,36H,11-14,16H2,1-6H3,(H2,35,43)(H,37,45)(H,38,44)(H,39,47)(H,40,46)(H,41,49)(H,42,48)/t23-,24+,25-,26-,29-/m0/s1
InChIKeyCHWWXLHSWFFSCF-LEGRXYIASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25072108)
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 B (CHEBI:227694) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(2S,8S,11S,14R,17S)-8-(1H-indol-3-ylmethyl)-11,14-bis(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-17-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
Manual XrefsDatabases
34981596ChemSpider