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CHEBI:215153 - Climacomontaninate A

ChEBI IDCHEBI:215153
ChEBI NameClimacomontaninate A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20N2O3
Net Charge0
Average Mass264.325
Monoisotopic Mass264.14739
SMILESCCCCc1ccc(C(=O)N[C@H](C)C(=O)OC)nc1
InChIInChI=1S/C14H20N2O3/c1-4-5-6-11-7-8-12(15-9-11)13(17)16-10(2)14(18)19-3/h7-10H,4-6H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyPZVBDKSIQJHTRT-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Climacocystis montana (ncbitaxon:1519435) - DOI (10.1016/j.phytol.2018.05.019)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Climacomontaninate A (CHEBI:215153) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl (2R)-2-[(5-butylpyridine-2-carbonyl)amino]propanoate