EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187461 - alpha-N-(3-hydroxyoctadecanoyl)-L-ornithine

ChEBI IDCHEBI:187461
ChEBI Namealpha-N-(3-hydroxyoctadecanoyl)-L-ornithine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H46N2O4
Net Charge0
Average Mass414.631
Monoisotopic Mass414.34576
SMILESCCCCCCCCCCCCCCCC(O)CC(=O)N[C@H](CCCN)C(=O)O
InChIInChI=1S/C23H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20(26)19-22(27)25-21(23(28)29)17-15-18-24/h20-21,26H,2-19,24H2,1H3,(H,25,27)(H,28,29)/t20?,21-/m1/s1
InChIKeyIBTDVGGSPBGMJZ-BPGUCPLFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
alpha-N-(3-hydroxyoctadecanoyl)-L-ornithine (CHEBI:187461) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2R)-5-amino-2-(3-hydroxyoctadecanoylamino)pentanoic acid
Manual XrefsDatabases
LMFA08020225LIPID MAPS
113371138ChemSpider