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

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ChEBI Name 3-((3R,5R,7S,8E,10E,12E)-3-amino-5-hydroxy-7-methoxyoctadeca-8,10,12-trienamido)propanoic acid
ChEBI ID CHEBI:167186
Stars This entity has been manually annotated by a third party.
Submitter LIKUI FENG
Supplier Information
Download Molfile XML SDF
Formula C22H38N2O5
Net Charge 0
Average Mass 410.555
Monoisotopic Mass 410.27807
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
SMILES C(=C/[C@H](C[C@@H](C[C@H](CC(NCCC(O)=O)=O)N)O)OC)\C=C\C=C\CCCCC
Metabolite of Species Details
Caenorhabditis elegans (NCBI:txid6239) See: MetaboLights Study
ChEBI Ontology
Outgoing 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)