Suberic acid

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Systematic / IUPAC Name: Octanedioic acid

ID: Reference1393

Other Names: 1,6-Hexanedicarboxylic acid;
Octane-1,8-dioic acid;
Octane-1,8-dioate;
1,6-Hexanedicarboxylate;
Cork acid

Formula: C8H14O4

Class: Endogenous Metabolites

Spectral Data

Suberic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 208
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 3:02:41 PM
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Identificators

InChI InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChI Key TYFQFVWCELRYAO-UHFFFAOYSA-N
Canonical SMILES C(CCCC(=O)O)CCC(=O)O
CAS 505486
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Other Names 1,6-Hexanedicarboxylic acid;
Octane-1,8-dioic acid;
Octane-1,8-dioate;
1,6-Hexanedicarboxylate;
Cork acid;
Suberate

In Other Databases

PubChem 10457
ChemSpider 10025
Wikipedia Suberic acid
ChEBI CHEBI:9300
LipidsMAPs LMFA01170001
ChEMBL CHEMBL1162491
HMDb HMDB00893
ChemIDPlus 000505486; 068937724
KEGG C08278