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CHEBI:213700 - Rhodopeptin C4

ChEBI IDCHEBI:213700
ChEBI NameRhodopeptin C4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H51N5O4
Net Charge0
Average Mass509.736
Monoisotopic Mass509.39411
SMILESCCC(C)CCCCCCCC[C@@H]1CC(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](C(C)C)C(=O)N1
InChIInChI=1S/C27H51N5O4/c1-5-20(4)13-10-8-6-7-9-11-14-21-17-23(33)29-18-24(34)31-22(15-12-16-28)26(35)32-25(19(2)3)27(36)30-21/h19-22,25H,5-18,28H2,1-4H3,(H,29,33)(H,30,36)(H,31,34)(H,32,35)/t20?,21-,22+,25+/m1/s1
InChIKeySQSJOUYJBHDMLJ-AVRPPCKLSA-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 C4 (CHEBI:213700) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,13R)-6-(3-aminopropyl)-13-(9-methylundecyl)-3-propan-2-yl-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone
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78437494ChemSpider