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CHEBI:224065 - Noursamycin B

ChEBI IDCHEBI:224065
ChEBI NameNoursamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56ClN9O8
Net Charge0
Average Mass790.363
Monoisotopic Mass789.39404
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc3ccc(Cl)cc23)NC(=O)[C@H]([C@H](O)C(N)=O)NC(=O)[C@H](CCCN)NC1=O
InChIInChI=1S/C37H56ClN9O8/c1-7-19(6)28-36(54)42-24(9-8-12-39)32(50)47-29(30(48)31(40)49)37(55)44-26(14-20-16-41-23-11-10-21(38)15-22(20)23)34(52)45-27(18(4)5)35(53)43-25(13-17(2)3)33(51)46-28/h10-11,15-19,24-30,41,48H,7-9,12-14,39H2,1-6H3,(H2,40,49)(H,42,54)(H,43,53)(H,44,55)(H,45,52)(H,46,51)(H,47,50)/t19-,24-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKeyCUXAULQHGRSWLF-KPQPCQMNSA-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 B (CHEBI:224065) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S)-2-[(2S,5S,8S,11S,14S,17S)-17-(3-aminopropyl)-14-[(2S)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide