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CHEBI:212265 - [(3S)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[ormyl(hydroxy)amino]-2-[[2-(2-hydroxy-5-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate

ChEBI IDCHEBI:212265
ChEBI Name[(3S)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[ormyl(hydroxy)amino]-2-[[2-(2-hydroxy-5-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H55N5O11
Net Charge0
Average Mass745.871
Monoisotopic Mass745.38981
SMILESCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C=O)NC(=O)c1nc(-c2cc(OC)ccc2O)oc1C)C(C)(C)C(=O)N[C@H]1CCCCN(O)C1=O
InChIInChI=1S/C37H55N5O11/c1-6-7-8-9-10-17-30(37(3,4)36(48)39-27-15-12-14-21-42(50)34(27)46)53-35(47)28(16-11-13-20-41(49)23-43)38-32(45)31-24(2)52-33(40-31)26-22-25(51-5)18-19-29(26)44/h18-19,22-23,27-28,30,44,49-50H,6-17,20-21H2,1-5H3,(H,38,45)(H,39,48)/t27-,28+,30-/m0/s1
InChIKeyOAZPHWSNISPLNR-LXQNXJGFSA-N
Species of MetaboliteComponentSourceComments
Nocardia asteroides (ncbitaxon:1824) - DOI (10.1016/s0040-4039(99)00050-7)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
[(3S)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[ormyl(hydroxy)amino]-2-[[2-(2-hydroxy-5-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate (CHEBI:212265) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(3S)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[ormyl(hydroxy)amino]-2-[[2-(2-hydroxy-5-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate
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