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CHEBI:203727 - Lipoamicoumacin C

ChEBI IDCHEBI:203727
ChEBI NameLipoamicoumacin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56N4O10
Net Charge0
Average Mass716.873
Monoisotopic Mass716.39964
SMILESCC(C)CCCCCCCCC(=O)N[C@@H](CCC(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/C37H56N4O10/c1-21(2)12-9-7-5-6-8-10-15-30(44)39-24(16-17-29(38)43)35(47)41-26-20-31(45)51-34(26)33(46)36(48)40-25(18-22(3)4)28-19-23-13-11-14-27(42)32(23)37(49)50-28/h11,13-14,21-22,24-26,28,33-34,42,46H,5-10,12,15-20H2,1-4H3,(H2,38,43)(H,39,44)(H,40,48)(H,41,47)/t24-,25-,26-,28-,33-,34-/m0/s1
InChIKeyONFSIZSQFFUXFX-UFWSBYILSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (22412803)
ChEBI Ontology
Outgoing Relation(s)
Lipoamicoumacin C (CHEBI:203727) is a glutamine derivative (CHEBI:70813)
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)pentanediamide
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29214738ChemSpider