CHEBI:183264 - 1,2-Cyclohexanedicarboxylic acid, nonyl 4-octyl ester

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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 1,2-Cyclohexanedicarboxylic acid, nonyl 4-octyl ester
ChEBI ID CHEBI:183264
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H46O4
Net Charge 0
Average Mass 410.639
Monoisotopic Mass 410.33961
InChI InChI=1S/C25H46O4/c1-4-7-9-10-11-12-15-20-28-24(26)22-18-13-14-19-23(22)25(27)29-21(16-6-3)17-8-5-2/h21-23H,4-20H2,1-3H3
InChIKey FTSDQWVKKDXGDR-UHFFFAOYSA-N
SMILES O(C(=O)C1C(CCCC1)C(OCCCCCCCCC)=O)C(CCCC)CCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 1,2-Cyclohexanedicarboxylic acid, nonyl 4-octyl ester (CHEBI:183264) is a carboxylic ester (CHEBI:33308)
IUPAC Name
1-O-nonyl 2-O-octan-4-yl cyclohexane-1,2-dicarboxylate