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CHEBI:226615 - Microcyclamide GL616

ChEBI IDCHEBI:226615
ChEBI NameMicrocyclamide GL616
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N6O7S
Net Charge0
Average Mass616.741
Monoisotopic Mass616.26792
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)[C@H](C)NC(=O)c2csc1n2
InChIInChI=1S/C29H40N6O7S/c1-6-14(2)21-29-32-20(13-43-29)26(40)30-15(3)24(38)34-22(16(4)36)27(41)31-19(12-18-10-8-7-9-11-18)25(39)35-23(17(5)37)28(42)33-21/h7-11,13-17,19,21-23,36-37H,6,12H2,1-5H3,(H,30,40)(H,31,41)(H,33,42)(H,34,38)(H,35,39)/t14-,15-,16-,17-,19-,21-,22+,23+/m0/s1
InChIKeyURKWKYAJQNZSLA-KXNOCRFKSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - DOI (10.1016/j.tet.2010.02.008)
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 GL616 (CHEBI:226615) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,7R,10S,13R,16S)-10-benzyl-16-[(2S)-butan-2-yl]-7,13-bis[(1S)-1-hydroxyethyl]-4-methyl-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
78437811ChemSpider