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CHEBI:200067 - N-Butylglucosamine ester derivative A

ChEBI IDCHEBI:200067
ChEBI NameN-Butylglucosamine ester derivative A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H56N2O8
Net Charge0
Average Mass584.795
Monoisotopic Mass584.40367
SMILESCCCCCCCC/C=C\CCCCCC(=O)NC(C(=O)OC1OC(CO)C(O)C(O)C1NC(=O)CCC)C(C)C
InChIInChI=1S/C31H56N2O8/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25(36)32-26(22(3)4)30(39)41-31-27(33-24(35)19-6-2)29(38)28(37)23(21-34)40-31/h13-14,22-23,26-29,31,34,37-38H,5-12,15-21H2,1-4H3,(H,32,36)(H,33,35)/b14-13-
InChIKeySMEVICNLKWNVJT-YPKPFQOOSA-N
Species of MetaboliteComponentSourceComments
Serratiaspecies (in: enterobacteria) (ncbitaxon:616) - PubMed (18303848)
ChEBI Ontology
Outgoing Relation(s)
N-Butylglucosamine ester derivative A (CHEBI:200067) is a amino sugar (CHEBI:28963)
IUPAC Name 
[3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-[[(Z)-hexadec-7-enoyl]amino]-3-methylbutanoate
Manual XrefsDatabases
78443937ChemSpider