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CHEBI:202009 - Lyngbyapeptin A

ChEBI IDCHEBI:202009
ChEBI NameLyngbyapeptin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H55N5O6S
Net Charge0
Average Mass697.943
Monoisotopic Mass697.38731
SMILESCCC(C)C(C(=O)N1CCCC1c1nccs1)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(Cc1ccc(OC)cc1)N(C)C(=O)/C=C(\C)OC
InChIInChI=1S/C37H55N5O6S/c1-11-25(4)33(37(46)42-19-12-13-29(42)34-38-18-20-49-34)41(8)36(45)30(21-24(2)3)40(7)35(44)31(39(6)32(43)22-26(5)47-9)23-27-14-16-28(48-10)17-15-27/h14-18,20,22,24-25,29-31,33H,11-13,19,21,23H2,1-10H3/b26-22+
InChIKeyHTBQLUDZPAANPB-XTCLZLMSSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - DOI (10.1016/s0040-4039(98)02451-4)
ChEBI Ontology
Outgoing Relation(s)
Lyngbyapeptin A (CHEBI:202009) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
2-[[2-[[(E)-3-methoxybut-2-enoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]-methylamino]-N,4-dimethyl-N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]pentanamide
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10477546ChemSpider