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CHEBI:211964 - Lyngbyapeptin D

ChEBI IDCHEBI:211964
ChEBI NameLyngbyapeptin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H53N5O6S
Net Charge0
Average Mass683.916
Monoisotopic Mass683.37166
SMILESCO/C(C)=C/C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1c1nccs1)C(C)C
InChIInChI=1S/C36H53N5O6S/c1-23(2)20-29(35(44)40(8)32(24(3)4)36(45)41-18-11-12-28(41)33-37-17-19-48-33)39(7)34(43)30(38(6)31(42)21-25(5)46-9)22-26-13-15-27(47-10)16-14-26/h13-17,19,21,23-24,28-30,32H,11-12,18,20,22H2,1-10H3/b25-21+/t28-,29-,30-,32-/m0/s1
InChIKeyVAZIRJJDQHGFJU-YMGIVACDSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (20704304)
ChEBI Ontology
Outgoing Relation(s)
Lyngbyapeptin D (CHEBI:211964) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(E)-3-methoxybut-2-enoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]-methylamino]-N,4-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]pentanamide
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27025083ChemSpider