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CHEBI:209868 - Micropeptin MM916

ChEBI IDCHEBI:209868
ChEBI NameMicropeptin MM916
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H60N6O14S
Net Charge0
Average Mass917.048
Monoisotopic Mass916.38882
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O
InChIInChI=1S/C43H60N6O14S/c1-7-25(4)35-43(58)63-26(5)36(47-39(54)33(50)23-62-64(59,60)61)40(55)45-30(20-24(2)3)37(52)44-29-18-19-34(51)49(41(29)56)32(22-28-16-12-9-13-17-28)42(57)48(6)31(38(53)46-35)21-27-14-10-8-11-15-27/h8-17,24-26,29-36,50-51H,7,18-23H2,1-6H3,(H,44,52)(H,45,55)(H,46,53)(H,47,54)(H,59,60,61)/t25-,26+,29-,30-,31-,32-,33+,34+,35-,36-/m0/s1
InChIKeyUDBOCRPVXNYVSH-QSKNANTQSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - DOI (10.1016/j.tet.2010.09.067)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Micropeptin MM916 (CHEBI:209868) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[(2R)-3-[[(2S,5S,8S,11R,12S,15S,18S,21R)-2,5-dibenzyl-8-[(2S)-butan-2-yl]-21-hydroxy-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-hydroxy-3-oxopropyl] hydrogen sulate
Manual XrefsDatabases
78438485ChemSpider