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CHEBI:210498 - Lyngbyapeptin B

ChEBI IDCHEBI:210498
ChEBI NameLyngbyapeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H51N5O7S
Net Charge0
Average Mass721.921
Monoisotopic Mass721.35092
SMILESCO/C(C)=C/C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1nccs1)C(C)C
InChIInChI=1S/C38H51N5O7S/c1-24(2)34(43(7)37(46)32(41(5)33(44)21-25(3)48-8)23-28-13-17-30(50-10)18-14-28)38(47)42(6)31(22-27-11-15-29(49-9)16-12-27)35(45)40-26(4)36-39-19-20-51-36/h11-21,24,26,31-32,34H,22-23H2,1-10H3,(H,40,45)/b25-21+/t26-,31-,32-,34-/m0/s1
InChIKeyFSPMQCXNAYXLFE-CYOLQUESSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(02)00895-5)
ChEBI Ontology
Outgoing Relation(s)
Lyngbyapeptin B (CHEBI:210498) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(E)-3-methoxybut-2-enoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]-methylamino]-N-[(2S)-3-(4-methoxyphenyl)-1-oxo-1-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]propan-2-yl]-N,3-dimethylbutanamide
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9322085ChemSpider