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CHEBI:221907 - Lipoamicoumacin D

ChEBI IDCHEBI:221907
ChEBI NameLipoamicoumacin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58N4O10
Net Charge0
Average Mass730.900
Monoisotopic Mass730.41529
SMILESCCC(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/C38H58N4O10/c1-5-23(4)13-10-8-6-7-9-11-16-31(45)40-25(17-18-30(39)44)36(48)42-27-21-32(46)52-35(27)34(47)37(49)41-26(19-22(2)3)29-20-24-14-12-15-28(43)33(24)38(50)51-29/h12,14-15,22-23,25-27,29,34-35,43,47H,5-11,13,16-21H2,1-4H3,(H2,39,44)(H,40,45)(H,41,49)(H,42,48)/t23?,25-,26-,27-,29-,34-,35-/m0/s1
InChIKeyZVCHVUGBSCBZKK-YQUFNAMNSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (22412803)
ChEBI Ontology
Outgoing Relation(s)
Lipoamicoumacin D (CHEBI:221907) 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-methyldodecanoylamino)pentanediamide
Manual XrefsDatabases
29214739ChemSpider