3-((3R,5R,7S,8E,10E,12E)-3-amino-5-hydroxy-7-methoxyoctadeca-8,10,12-trienamido)propanoic acid (CHEBI:167186)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:167186 - 3-((3R,5R,7S,8E,10E,12E)-3-amino-5-hydroxy-7-methoxyoctadeca-8,10,12-trienamido)propanoic acid

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:167186
ChEBI Name	3-((3R,5R,7S,8E,10E,12E)-3-amino-5-hydroxy-7-methoxyoctadeca-8,10,12-trienamido)propanoic acid
Stars
Submitter	butcherlab
Downloads	Molfile

Formula	C22H38N2O5
Net Charge	0
Average Mass	410.555
Monoisotopic Mass	410.27807
SMILES	CCCCC/C=C/C=C/C=C/[C@H](C[C@H](O)C[C@@H](N)CC(=O)NCCC(=O)O)OC
InChI	InChI=1S/C22H38N2O5/c1-3-4-5-6-7-8-9-10-11-12-20(29-2)17-19(25)15-18(23)16-21(26)24-14-13-22(27)28/h7-12,18-20,25H,3-6,13-17,23H2,1-2H3,(H,24,26)(H,27,28)/b8-7+,10-9+,12-11+/t18-,19-,20-/m1/s1
InChIKey	HLBMXESBKFMAHI-OPVJNHDVSA-N

Species of Metabolite	Component	Source	Comments
Caenorhabditis elegans (ncbitaxon:6239)	-	MetaboLights (MTBLS2313)

ChEBI Ontology

Outgoing Relation(s)
	3-((3R,5R,7S,8E,10E,12E)-3-amino-5-hydroxy-7-methoxyoctadeca-8,10,12-trienamido)propanoic acid (CHEBI:167186) is a organic molecular entity (CHEBI:50860)