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CHEBI:216450 - Microcyclamide GL628

ChEBI IDCHEBI:216450
ChEBI NameMicrocyclamide GL628
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32N8O6S2
Net Charge0
Average Mass628.737
Monoisotopic Mass628.18862
SMILESCC[C@H](C)[C@@H]1NC(=O)c2nc(oc2C)[C@H](C)NC(=O)c2csc(n2)[C@@H]2C[C@]3(OC)[C@@H](NC(=O)N3C)N2C(=O)c2csc1n2
InChIInChI=1S/C27H32N8O6S2/c1-7-11(2)17-23-30-15(10-43-23)24(38)35-16(8-27(40-6)25(35)33-26(39)34(27)5)22-29-14(9-42-22)19(36)28-12(3)21-32-18(13(4)41-21)20(37)31-17/h9-12,16-17,25H,7-8H2,1-6H3,(H,28,36)(H,31,37)(H,33,39)/t11-,12-,16-,17-,25-,27-/m0/s1
InChIKeyZMCZEOONQQHJQK-HURATCRKSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - DOI (10.1016/j.tet.2010.02.008)
ChEBI Ontology
Outgoing Relation(s)
Microcyclamide GL628 (CHEBI:216450) is a azamacrocycle (CHEBI:52898)
Microcyclamide GL628 (CHEBI:216450) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2S,4S,8S,15S,22S)-15-[(2S)-butan-2-yl]-4-methoxy-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
78437557ChemSpider