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CHEBI:223145 - 2-[[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl]amino]-3-hydroxypropanoic acid

ChEBI IDCHEBI:223145
ChEBI Name2-[[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl]amino]-3-hydroxypropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O5
Net Charge0
Average Mass374.437
Monoisotopic Mass374.18417
SMILESCC(/C=C/C(=O)NC(CO)C(=O)O)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N2O5/c1-13(5-10-18(24)21-17(12-23)20(26)27)11-14(2)19(25)15-6-8-16(9-7-15)22(3)4/h5-11,14,17,23H,12H2,1-4H3,(H,21,24)(H,26,27)/b10-5+,13-11+/t14-,17?/m1/s1
InChIKeyKCRBMZBNQSKRNL-OFFUNWNUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (19300468)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl]amino]-3-hydroxypropanoic acid (CHEBI:223145) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-[[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl]amino]-3-hydroxypropanoic acid
Manual XrefsDatabases
78441919ChemSpider