Pimelic acid

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Systematic / IUPAC Name: Heptanedioic acid

ID: Reference1257

Other Names: 1,5-Pentanedicarboxylic acid;
6-Carboxyhexanoic acid;
1,7-Heptanedioic acid;
Heptane-1,7-dioate;
Pileric acid

Formula: C7H12O4

Class: Endogenous Metabolites

Spectral Data

Pimelic 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 3
No. of Spectra 248
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 12/4/2014 1:26:06 PM
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Identificators

InChI InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChI Key WLJVNTCWHIRURA-UHFFFAOYSA-N
Canonical SMILES C(CCC(=O)O)CCC(=O)O
CAS 111160
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Other Names 1,5-Pentanedicarboxylic acid;
6-Carboxyhexanoic acid;
1,7-Heptanedioic acid;
Heptane-1,7-dioate;
Pileric acid;
Pilerate

In Other Databases

Wikipedia Pimelic acid
ChemIDPlus 000111160
PubChem 385
ChEBI CHEBI:30531
KEGG C02656
ChemSpider 376
LipidsMAPs LMFA01170051
HMDb HMDB00857