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CHEBI:214215 - Micropeptin MM850

ChEBI IDCHEBI:214215
ChEBI NameMicropeptin MM850
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H62N6O11
Net Charge0
Average Mass851.011
Monoisotopic Mass850.44766
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]2OC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](O)CO)[C@@H](C)OC1=O
InChIInChI=1S/C44H62N6O11/c1-8-26(4)36-44(59)61-27(5)37(48-40(55)34(52)24-51)41(56)46-31(21-25(2)3)38(53)45-30-19-20-35(60-7)50(42(30)57)33(23-29-17-13-10-14-18-29)43(58)49(6)32(39(54)47-36)22-28-15-11-9-12-16-28/h9-18,25-27,30-37,51-52H,8,19-24H2,1-7H3,(H,45,53)(H,46,56)(H,47,54)(H,48,55)/t26-,27+,30-,31-,32-,33-,34+,35+,36-,37-/m0/s1
InChIKeyJRYZCWOROGUEPY-ZDYYWPHCSA-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 MM850 (CHEBI:214215) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-2,5-dibenzyl-8-[(2S)-butan-2-yl]-21-methoxy-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]-2,3-dihydroxypropanamide
Manual XrefsDatabases
78438578ChemSpider