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CHEBI:202307 - Microcyclamide GL614C

ChEBI IDCHEBI:202307
ChEBI NameMicrocyclamide GL614C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30N8O6S2
Net Charge0
Average Mass614.710
Monoisotopic Mass614.17297
SMILESCC[C@H](C)[C@@H]1NC(=O)c2nc(oc2C)[C@H](C)NC(=O)c2csc(n2)[C@@H]2C[C@]3(O)[C@@H](NC(=O)N3C)N2C(=O)c2csc1n2
InChIInChI=1S/C26H30N8O6S2/c1-6-10(2)16-22-29-14(9-42-22)23(37)34-15(7-26(39)24(34)32-25(38)33(26)5)21-28-13(8-41-21)18(35)27-11(3)20-31-17(12(4)40-20)19(36)30-16/h8-11,15-16,24,39H,6-7H2,1-5H3,(H,27,35)(H,30,36)(H,32,38)/t10-,11-,15-,16-,24-,26-/m0/s1
InChIKeyILKKLNFJSSYIIX-KBCIWZPCSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - DOI (10.1016/j.tet.2010.02.008)
ChEBI Ontology
Outgoing Relation(s)
Microcyclamide GL614C (CHEBI:202307) is a azamacrocycle (CHEBI:52898)
Microcyclamide GL614C (CHEBI:202307) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2S,4S,8S,15S,22S)-15-[(2S)-butan-2-yl]-4-hydroxy-5,19,22-trimethyl-20-oxa-13,27-dithia-5,7,9,16,23,28,29,30-octazahexacyclo[23.2.1.111,14.118,21.02,9.04,8]triaconta-1(28),11,14(30),18,21(29),25-hexaene-6,10,17,24-tetrone
Manual XrefsDatabases
78436847ChemSpider