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CHEBI:216759 - Micropeptin GH979

ChEBI IDCHEBI:216759
ChEBI NameMicropeptin GH979
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H69N7O14
Net Charge0
Average Mass980.126
Monoisotopic Mass979.49025
SMILESCC[C@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](O)Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N1C2=O
InChIInChI=1S/C49H69N7O14/c1-9-27(6)41-48(68)55(8)35(22-29-13-11-10-12-14-29)44(64)53-39(26(4)5)49(69)70-28(7)40(46(66)52-33(21-25(2)3)42(62)50-32-19-20-37(59)56(41)47(32)67)54-43(63)34(24-38(60)61)51-45(65)36(58)23-30-15-17-31(57)18-16-30/h10-18,25-28,32-37,39-41,57-59H,9,19-24H2,1-8H3,(H,50,62)(H,51,65)(H,52,66)(H,53,64)(H,54,63)(H,60,61)/t27-,28+,32-,33-,34-,35-,36-,37+,39-,40-,41-/m0/s1
InChIKeyJRKQMCKTFHKZAH-PHMFEYRQSA-N
Species of MetaboliteComponentSourceComments
Microcystisspecies (ncbitaxon:1127) - DOI (10.1016/j.tet.2011.04.042)
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 GH979 (CHEBI:216759) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2-[(2S)-butan-2-yl]-21-hydroxy-4,11-dimethyl-15-(2-methylpropyl)-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]amino]-3-[[(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78438124ChemSpider