EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198966 - Lipoamicoumacin A

ChEBI IDCHEBI:198966
ChEBI NameLipoamicoumacin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54N4O10
Net Charge0
Average Mass702.846
Monoisotopic Mass702.38399
SMILESCC(C)CCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC(=O)O[C@@H]1[C@H](O)C(=O)N[C@@H](CC(C)C)[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C36H54N4O10/c1-20(2)12-9-7-5-6-8-10-15-29(43)38-25(18-28(37)42)34(46)40-24-19-30(44)50-33(24)32(45)35(47)39-23(16-21(3)4)27-17-22-13-11-14-26(41)31(22)36(48)49-27/h11,13-14,20-21,23-25,27,32-33,41,45H,5-10,12,15-19H2,1-4H3,(H2,37,42)(H,38,43)(H,39,47)(H,40,46)/t23-,24-,25-,27-,32-,33-/m0/s1
InChIKeyZHYMLVQZKWNBCJ-NXHPLVHXSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (22412803)
ChEBI Ontology
Outgoing Relation(s)
Lipoamicoumacin A (CHEBI:198966) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
(2S)-N-[(2S,3S)-2-[(1S)-1-hydroxy-2-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-2-oxoethyl]-5-oxooxolan-3-yl]-2-(10-methylundecanoylamino)butanediamide
Manual XrefsDatabases
29214736ChemSpider