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CHEBI:204058 - Microcyclamide GL614B

ChEBI IDCHEBI:204058
ChEBI NameMicrocyclamide GL614B
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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](CC2C(=O)NC(=O)N2C)NC(=O)c2csc1n2
InChIInChI=1S/C26H30N8O6S2/c1-6-10(2)17-25-30-15(9-42-25)20(36)28-13(7-16-21(37)33-26(39)34(16)5)24-29-14(8-41-24)19(35)27-11(3)23-32-18(12(4)40-23)22(38)31-17/h8-11,13,16-17H,6-7H2,1-5H3,(H,27,35)(H,28,36)(H,31,38)(H,33,37,39)/t10-,11-,13+,16?,17-/m0/s1
InChIKeyYMVUMOCTCMIYEH-ZXCUNYDDSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - DOI (10.1016/j.tet.2010.02.008)
ChEBI Ontology
Outgoing Relation(s)
Microcyclamide GL614B (CHEBI:204058) is a azamacrocycle (CHEBI:52898)
Microcyclamide GL614B (CHEBI:204058) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,11S,18R)-11-[(2S)-butan-2-yl]-4,7-dimethyl-18-[(3-methyl-2,5-dioxoimidazolidin-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
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78437091ChemSpider