13-Hydroperoxyoctadeca-9,11-dienoic acid
Basic information
- CAS
7324-21-2- Standard SMILES
CCCCCC(C=CC=CCCCCCCCC(=O)O)OO- InChIKey
JDSRHVWSAMTSSN-UHFFFAOYSA-N- Molecular formula
- C18H32O4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.2300595
Overview
13-HPODE has been reported in Oryza sativa with data available.
Names & identifiers
- Preferred name
- 13-Hydroperoxyoctadeca-9,11-dienoic acid
- IUPAC
- 13-hydroperoxyoctadeca-9,11-dienoic acid
Names & synonyms
13-hydroperoxyoctadeca-9,11-dienoic acidRefChem:105747513-Hpode(?)13-HpODESCHEMBL904642DTXSID2086569813-hydroperoxy-11,9-octadecadienoic acid13(S)-HYDROPEROXYOCTA-DECA-9Z,11E-DIENOIC ACID
Database identifiers
- CAS
7324-21-2- PubChem CID
- 1426
- DTXSID
DTXSID20865698
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 310
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Related reactions
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Compound notes
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