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CHEBI:205970 - Microcyclamide MZ602

ChEBI IDCHEBI:205970
ChEBI NameMicrocyclamide MZ602
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38N6O7S
Net Charge0
Average Mass602.714
Monoisotopic Mass602.25227
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)c2csc1n2
InChIInChI=1S/C28H38N6O7S/c1-5-14(2)21-28-31-19(13-42-28)24(38)29-12-20(37)32-22(15(3)35)26(40)30-18(11-17-9-7-6-8-10-17)25(39)34-23(16(4)36)27(41)33-21/h6-10,13-16,18,21-23,35-36H,5,11-12H2,1-4H3,(H,29,38)(H,30,40)(H,32,37)(H,33,41)(H,34,39)/t14-,15+,16+,18-,21-,22-,23-/m0/s1
InChIKeyADBNSJLKNCMLCN-PQACYZQCSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - DOI (10.1016/j.tetlet.2010.10.051)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microcyclamide MZ602 (CHEBI:205970) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(7S,10S,13S,16S)-10-benzyl-16-[(2S)-butan-2-yl]-7,13-bis[(1R)-1-hydroxyethyl]-18-thia-3,6,9,12,15,20-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11,14-pentone
Manual XrefsDatabases
28288304ChemSpider