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CHEBI:167190 - 2,2',2''-((2R,5R,8S,11R)-11-((2R,4S,5E,7E,9E)-2,4-dihydroxypentadeca-5,7,9-trien-1-yl)-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-2,5,8-triyl)triacetamide

Default Structure
ChEBI IDCHEBI:167190
ChEBI Name2,2',2''-((2R,5R,8S,11R)-11-((2R,4S,5E,7E,9E)-2,4-dihydroxypentadeca-5,7,9-trien-1-yl)-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-2,5,8-triyl)triacetamide
Stars
Submitterbutcherlab
DownloadsMolfile
FormulaC33H52N8O10
Net Charge0
Average Mass720.825
Monoisotopic Mass720.38064
SMILESCCCCC/C=C/C=C/C=C/[C@@H](O)C[C@H](O)C[C@@H]1CC(=O)NCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
InChIInChI=1S/C33H52N8O10/c1-2-3-4-5-6-7-8-9-10-11-21(42)16-22(43)14-20-15-30(48)37-13-12-29(47)39-23(17-26(34)44)32(50)41-25(19-28(36)46)33(51)40-24(18-27(35)45)31(49)38-20/h6-11,20-25,42-43H,2-5,12-19H2,1H3,(H2,34,44)(H2,35,45)(H2,36,46)(H,37,48)(H,38,49)(H,39,47)(H,40,51)(H,41,50)/b7-6+,9-8+,11-10+/t20-,21-,22-,23-,24+,25-/m1/s1
InChIKeyPEHNPDFVODTXIN-NOVOHZFLSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - MetaboLights (MTBLS2313)
ChEBI Ontology
Outgoing Relation(s)
2,2',2''-((2R,5R,8S,11R)-11-((2R,4S,5E,7E,9E)-2,4-dihydroxypentadeca-5,7,9-trien-1-yl)-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-2,5,8-triyl)triacetamide (CHEBI:167190) is a organic molecular entity (CHEBI:50860)