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CHEBI:217927 - Micropeptin DR1006

ChEBI IDCHEBI:217927
ChEBI NameMicropeptin DR1006
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H74N8O13
Net Charge0
Average Mass1007.196
Monoisotopic Mass1006.53753
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](O)Cc2ccc(O)cc2)[C@@H](C)OC1=O
InChIInChI=1S/C51H74N8O13/c1-9-29(6)42-51(71)72-30(7)43(57-44(64)34(19-21-40(52)62)53-47(67)39(61)26-32-15-17-33(60)18-16-32)48(68)55-36(23-27(2)3)45(65)54-35-20-22-41(63)59(49(35)69)38(24-28(4)5)50(70)58(8)37(46(66)56-42)25-31-13-11-10-12-14-31/h10-18,27-30,34-39,41-43,60-61,63H,9,19-26H2,1-8H3,(H2,52,62)(H,53,67)(H,54,65)(H,55,68)(H,56,66)(H,57,64)/t29-,30+,34-,35-,36-,37-,38-,39+,41+,42-,43-/m0/s1
InChIKeyLWLFZSOQVBERAE-LMSXGGQLSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - DOI (10.1016/j.tet.2010.06.071)
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 DR1006 (CHEBI:217927) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide
Manual XrefsDatabases
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