EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219658 - Microcyclamide MZ568

ChEBI IDCHEBI:219658
ChEBI NameMicrocyclamide MZ568
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40N6O7S
Net Charge0
Average Mass568.697
Monoisotopic Mass568.26792
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)c2csc1n2
InChIInChI=1S/C25H40N6O7S/c1-8-11(4)17-25-27-15(9-39-25)21(35)26-12(5)20(34)30-18(13(6)32)23(37)28-16(10(2)3)22(36)31-19(14(7)33)24(38)29-17/h9-14,16-19,32-33H,8H2,1-7H3,(H,26,35)(H,28,37)(H,29,38)(H,30,34)(H,31,36)/t11-,12-,13+,14+,16-,17-,18-,19-/m0/s1
InChIKeySVGNQHFSKCBLNV-FENUFEPCSA-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 MZ568 (CHEBI:219658) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,7S,10S,13S,16S)-16-[(2S)-butan-2-yl]-7,13-bis[(1R)-1-hydroxyethyl]-4-methyl-10-propan-2-yl-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
78437632ChemSpider