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CHEBI:181215 - Deoxycommendamide (putative) or in source fragment-H2O observed in AGP sample

ChEBI IDCHEBI:181215
ChEBI NameDeoxycommendamide (putative) or in source fragment-H2O observed in AGP sample
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H33NO3
Net Charge0
Average Mass311.466
Monoisotopic Mass311.24604
SMILESCCCCCCCCCCCCC/C=C/C(=O)NCC(=O)O
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h14-15H,2-13,16H2,1H3,(H,19,20)(H,21,22)/b15-14+
InChIKeyXPLOWAHHERZGRC-CCEZHUSRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Deoxycommendamide (putative) or in source fragment-H2O observed in AGP sample (CHEBI:181215) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-[[(E)-hexadec-2-enoyl]amino]acetic acid