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CHEBI:199164 - YM-47515

ChEBI IDCHEBI:199164
ChEBI NameYM-47515
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H29NO4
Net Charge0
Average Mass311.422
Monoisotopic Mass311.20966
SMILES[C-]#[N+][C@]1(C)O[C@@H]1[C@H](O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H29NO4/c1-17(18-2)16(22-17)14(19)12-10-8-6-4-3-5-7-9-11-13-15(20)21/h14,16,19H,3-13H2,1H3,(H,20,21)/t14-,16-,17-/m1/s1
InChIKeyCPFRNLPNIWVHAU-DJIMGWMZSA-N
Species of MetaboliteComponentSourceComments
Micromonospora echinospora (ncbitaxon:1877) - PubMed (9592568)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
YM-47515 (CHEBI:199164) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(13R)-13-hydroxy-13-[(2R,3R)-3-isocyano-3-methyloxiran-2-yl]tridecanoic acid
Manual XrefsDatabases
78436465ChemSpider