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CHEBI:198981 - Microcyclamide GL546B

ChEBI IDCHEBI:198981
ChEBI NameMicrocyclamide GL546B
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SubmitterMetaboLights
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FormulaC23H26N6O6S2
Net Charge0
Average Mass546.631
Monoisotopic Mass546.13552
SMILESCC[C@H](C)[C@@H]1NC(=O)c2nc(oc2C)[C@H](C)NC(=O)c2csc(n2)[C@H](CC(=O)O)NC(=O)c2csc1n2
InChIInChI=1S/C23H26N6O6S2/c1-5-9(2)16-23-27-14(8-37-23)19(33)25-12(6-15(30)31)22-26-13(7-36-22)18(32)24-10(3)21-29-17(11(4)35-21)20(34)28-16/h7-10,12,16H,5-6H2,1-4H3,(H,24,32)(H,25,33)(H,28,34)(H,30,31)/t9-,10-,12-,16-/m0/s1
InChIKeySWMDBTHOKJGFQB-ZZTKVPBPSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - DOI (10.1016/j.tet.2010.02.008)
ChEBI Ontology
Outgoing Relation(s)
Microcyclamide GL546B (CHEBI:198981) is a azamacrocycle (CHEBI:52898)
Microcyclamide GL546B (CHEBI:198981) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
2-[(4S,11S,18S)-11-[(2S)-butan-2-yl]-4,7-dimethyl-2,9,16-trioxo-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)-hexaen-18-yl]acetic acid
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