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CHEBI:206882 - Rhodopeptin C2

ChEBI IDCHEBI:206882
ChEBI NameRhodopeptin C2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H49N5O4
Net Charge0
Average Mass495.709
Monoisotopic Mass495.37846
SMILESCCC(C)CCCCCC[C@@H]1CC(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](C(C)CC)C(=O)N1
InChIInChI=1S/C26H49N5O4/c1-5-18(3)12-9-7-8-10-13-20-16-22(32)28-17-23(33)30-21(14-11-15-27)25(34)31-24(19(4)6-2)26(35)29-20/h18-21,24H,5-17,27H2,1-4H3,(H,28,32)(H,29,35)(H,30,33)(H,31,34)/t18?,19?,20-,21+,24+/m1/s1
InChIKeyITBKUPNSNYDPST-FDAXIJCSSA-N
Species of MetaboliteComponentSourceComments
Rhodococcus (ncbitaxon:1827) - PubMed (10580383)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rhodopeptin C2 (CHEBI:206882) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,13R)-6-(3-aminopropyl)-3-butan-2-yl-13-(7-methylnonyl)-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone
Manual XrefsDatabases
78437880ChemSpider