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CHEBI:212604 - Microcyclamide

ChEBI IDCHEBI:212604
ChEBI NameMicrocyclamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30N8O4S2
Net Charge0
Average Mass582.712
Monoisotopic Mass582.18314
SMILESCC[C@H](C)[C@@H]1NC(=O)c2nc(oc2C)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2cncn2C)NC(=O)c2csc1n2
InChIInChI=1S/C26H30N8O4S2/c1-6-12(2)19-26-31-18(10-40-26)22(36)29-16(7-15-8-27-11-34(15)5)25-30-17(9-39-25)21(35)28-13(3)24-33-20(14(4)38-24)23(37)32-19/h8-13,16,19H,6-7H2,1-5H3,(H,28,35)(H,29,36)(H,32,37)/t12-,13-,16-,19-/m0/s1
InChIKeyVJNFZONNMHDIHW-DYIBVVGTSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa NIES-298 (ncbitaxon:449468) - PubMed (11000050)
ChEBI Ontology
Outgoing Relation(s)
Microcyclamide (CHEBI:212604) is a azamacrocycle (CHEBI:52898)
Microcyclamide (CHEBI:212604) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,11S,18S)-11-[(2S)-butan-2-yl]-4,7-dimethyl-18-[(3-methylimidazol-4-yl)methyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Manual XrefsDatabases
10242808ChemSpider