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CHEBI:225670 - Desotamide E

ChEBI IDCHEBI:225670
ChEBI NameDesotamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50N8O7
Net Charge0
Average Mass682.823
Monoisotopic Mass682.38025
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@@H](C(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/C34H50N8O7/c1-7-19(6)29-34(49)40-25(14-26(35)43)30(45)37-16-27(44)38-24(13-20-15-36-22-11-9-8-10-21(20)22)31(46)39-23(12-17(2)3)32(47)41-28(18(4)5)33(48)42-29/h8-11,15,17-19,23-25,28-29,36H,7,12-14,16H2,1-6H3,(H2,35,43)(H,37,45)(H,38,44)(H,39,46)(H,40,49)(H,41,47)(H,42,48)/t19-,23+,24+,25+,28-,29+/m1/s1
InChIKeyVWJJKUCKVPIGRH-LJXZAWPVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25229313)
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 E (CHEBI:225670) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(2S,8S,11S,14R,17S)-17-[(2R)-butan-2-yl]-8-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-14-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
Manual XrefsDatabases
78440316ChemSpider