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CHEBI:167188 - (3-((3R,5R,7S,8E,10E,12E)-3-amino-5-hydroxy-7-methoxyoctadeca-8,10,12-trienamido)propanoyl)-D-asparaginyl-D-asparagine

Default Structure
ChEBI IDCHEBI:167188
ChEBI Name(3-((3R,5R,7S,8E,10E,12E)-3-amino-5-hydroxy-7-methoxyoctadeca-8,10,12-trienamido)propanoyl)-D-asparaginyl-D-asparagine
Stars
Submitterbutcherlab
DownloadsMolfile
FormulaC30H50N6O9
Net Charge0
Average Mass638.763
Monoisotopic Mass638.36393
SMILESCCCCC/C=C/C=C/C=C/[C@H](C[C@H](O)C[C@@H](N)CC(=O)NCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)O)OC
InChIInChI=1S/C30H50N6O9/c1-3-4-5-6-7-8-9-10-11-12-22(45-2)17-21(37)15-20(31)16-28(41)34-14-13-27(40)35-23(18-25(32)38)29(42)36-24(30(43)44)19-26(33)39/h7-12,20-24,37H,3-6,13-19,31H2,1-2H3,(H2,32,38)(H2,33,39)(H,34,41)(H,35,40)(H,36,42)(H,43,44)/b8-7+,10-9+,12-11+/t20-,21-,22-,23-,24-/m1/s1
InChIKeyWMXWABYZWWUUSU-VAASJYLKSA-N
Species of MetaboliteComponentSourceComments
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)propanoyl)-D-asparaginyl-D-asparagine (CHEBI:167188) is a organic molecular entity (CHEBI:50860)