CHEBI:183263 - 1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl nonyl ester

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ChEBI Name 1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl nonyl ester
ChEBI ID CHEBI:183263
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H42O4
Net Charge 0
Average Mass 382.585
Monoisotopic Mass 382.30831
InChI InChI=1S/C23H42O4/c1-5-7-8-9-10-11-14-17-26-22(24)19-15-12-13-16-20(19)23(25)27-21(6-2)18(3)4/h18-21H,5-17H2,1-4H3
InChIKey LQMSDKIOQPKZRS-UHFFFAOYSA-N
SMILES O(C(=O)C1C(CCCC1)C(OCCCCCCCCC)=O)C(C(C)C)CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl nonyl ester (CHEBI:183263) is a carboxylic ester (CHEBI:33308)
IUPAC Name
2-O-(2-methylpentan-3-yl) 1-O-nonyl cyclohexane-1,2-dicarboxylate