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CHEBI:203889 - Micropeptin LH925

ChEBI IDCHEBI:203889
ChEBI NameMicropeptin LH925
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H67N7O14S
Net Charge0
Average Mass926.100
Monoisotopic Mass925.44667
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@@H](NC(=O)C(O)COS(=O)(=O)O)[C@@H](C)OC1=O
InChIInChI=1S/C42H67N7O14S/c1-9-24(3)33-42(58)63-26(5)34(46-38(54)31(50)23-62-64(59,60)61)39(55)43-28(18-14-15-21-47(6)7)36(52)44-29-19-20-32(51)49(40(29)56)35(25(4)10-2)41(57)48(8)30(37(53)45-33)22-27-16-12-11-13-17-27/h11-13,16-17,24-26,28-35,50-51H,9-10,14-15,18-23H2,1-8H3,(H,43,55)(H,44,52)(H,45,53)(H,46,54)(H,59,60,61)/t24-,25-,26+,28-,29-,30-,31?,32+,33-,34-,35-/m0/s1
InChIKeyHPIIIDVGWCXNRX-QGMUOMCCSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - DOI (10.1016/j.tet.2013.09.054)
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 LH925 (CHEBI:203889) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[3-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-15-[4-(dimethylamino)butyl]-21-hydroxy-4,11-dimethyl-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
78437063ChemSpider