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CHEBI:224075 - Noursamycin E

ChEBI IDCHEBI:224075
ChEBI NameNoursamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H52ClN9O8
Net Charge0
Average Mass810.353
Monoisotopic Mass809.36274
SMILESCC(C)[C@@H]1NC(=O)[C@H](Cc2cnc3ccc(Cl)cc23)NC(=O)[C@H]([C@H](O)C(N)=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C39H52ClN9O8/c1-19(2)29-37(55)44-26(11-8-14-41)34(52)49-31(32(50)33(42)51)39(57)46-28(16-22-18-43-25-13-12-23(40)17-24(22)25)36(54)48-30(20(3)4)38(56)45-27(35(53)47-29)15-21-9-6-5-7-10-21/h5-7,9-10,12-13,17-20,26-32,43,50H,8,11,14-16,41H2,1-4H3,(H2,42,51)(H,44,55)(H,45,56)(H,46,57)(H,47,53)(H,48,54)(H,49,52)/t26-,27-,28-,29-,30-,31-,32-/m0/s1
InChIKeyWHWFIHXYSMZHKF-YYGRSCHNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31181917)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Noursamycin E (CHEBI:224075) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S)-2-[(2S,5S,8S,11S,14S,17S)-17-(3-aminopropyl)-11-benzyl-5-[(5-chloro-1H-indol-3-yl)methyl]-3,6,9,12,15,18-hexaoxo-8,14-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide