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CHEBI:206740 - Micropeptin HU909

ChEBI IDCHEBI:206740
ChEBI NameMicropeptin HU909
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H64ClN9O12
Net Charge0
Average Mass910.467
Monoisotopic Mass909.43630
SMILESCC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccc(OC)c(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](O)CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]2CC[C@@H](OC)N1C2=O
InChIInChI=1S/C41H64ClN9O12/c1-9-21(4)33-39(59)50(6)27(18-23-12-14-29(61-7)24(42)17-23)35(55)48-31(20(2)3)40(60)63-22(5)32(49-36(56)28(53)19-52)37(57)46-25(11-10-16-45-41(43)44)34(54)47-26-13-15-30(62-8)51(33)38(26)58/h12,14,17,20-22,25-28,30-33,52-53H,9-11,13,15-16,18-19H2,1-8H3,(H,46,57)(H,47,54)(H,48,55)(H,49,56)(H4,43,44,45)/t21-,22+,25-,26-,27-,28+,30+,31-,32-,33-/m0/s1
InChIKeyLURNUBHCAYLVKT-PDLQKTGISA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - PubMed (19650639)
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 HU909 (CHEBI:206740) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-[(2S)-butan-2-yl]-5-[(3-chloro-4-methoxyphenyl)methyl]-15-[3-(diaminomethylideneamino)propyl]-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2,3-dihydroxypropanamide
Manual XrefsDatabases
24658434ChemSpider