CHEBI:189335 - 6,6'-(1,2,3,5,8,8a-Hexahydroindolizine-6,8-diyldi-10,1-decanediyl)bis(2-methyl-3-piperidinol)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6,6'-(1,2,3,5,8,8a-Hexahydroindolizine-6,8-diyldi-10,1-decanediyl)bis(2-methyl-3-piperidinol)
ChEBI ID CHEBI:189335
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H75N3O2
Net Charge 0
Average Mass 630.059
Monoisotopic Mass 629.58593
InChI InChI=1S/C40H75N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h30,32-33,35-42,44-45H,3-29,31H2,1-2H3
InChIKey JOTBJXJGDRSICD-UHFFFAOYSA-N
SMILES OC1C(NC(CC1)CCCCCCCCCCC2C3N(CCC3)CC(=C2)CCCCCCCCCCC4NC(C(O)CC4)C)C
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing 6,6'-(1,2,3,5,8,8a-Hexahydroindolizine-6,8-diyldi-10,1-decanediyl)bis(2-methyl-3-piperidinol) (CHEBI:189335) is a citraconoyl group (CHEBI:23315)
IUPAC Name
6-[10-[6-[10-(5-hydroxy-6-methylpiperidin-2-yl)decyl]-1,2,3,5,8,8a-hexahydroindolizin-8-yl]decyl]-2-methylpiperidin-3-ol
Manual Xref Database
113776 ChemSpider
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Registry Number Type Source
66771-80-0 CAS Registry Number ChemIDplus