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CHEBI:210460 - Microcyclamide 7806B

ChEBI IDCHEBI:210460
ChEBI NameMicrocyclamide 7806B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34N6O6S
Net Charge0
Average Mass534.639
Monoisotopic Mass534.22605
SMILESCC[C@H](C)[C@H]1NC(=O)c2coc(n2)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)c2csc1n2
InChIInChI=1S/C24H34N6O6S/c1-7-11(4)17-24-27-15(9-37-24)21(34)25-12(5)19(32)30-18(13(6)31)22(35)28-16(10(2)3)23-26-14(8-36-23)20(33)29-17/h8-13,16-18,31H,7H2,1-6H3,(H,25,34)(H,28,35)(H,29,33)(H,30,32)/t11-,12-,13+,16-,17+,18-/m0/s1
InChIKeyQZBXXIUSHVFCNF-ZIYJYRAWSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa PCC 7806 (ncbitaxon:267872) - PubMed (18973386)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microcyclamide 7806B (CHEBI:210460) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(4R,11S,14S,17S)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11-methyl-17-propan-2-yl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
Manual XrefsDatabases
78437421ChemSpider