Pimelic acid

Synonyms: pimelic acid, "Heptanedioic acid", "1,5-Pentanedicarboxylic acid", "Pileric acid", "Heptandioic acid", "pimelate", "Heptane-1,7-dioic acid", "6-carboxyhexanoate", "1,7-Heptanedioic acid", "6-carboxyhexanoic acid", "EINECS 203-840-8", "Pentane-1,5-dicarboxylic acid", "CHEBI:30531","Heptandioate", "Pimelicacid", "Pilerate", "1,7-Heptanedioate", "Heptane-1,7-dioate"

Source: Pimelic acid is a precursor in the biosynthesis of biotin.

Identifiers:

IUPAC Name: heptanedioic acid
CAS Number: 111-16-0
PubChem ID: 385
InChiKey: WLJVNTCWHIRURA-UHFFFAOYSA-N
Canonical SMILES: C(CCC(=O)O)CCC(=O)O

Structural Properties:

Molecular Formula: C₇H₁₂O₄
Molecular Weight: 160,170

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 11

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
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3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

External Links

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2D-structure

3D-structure