Ambrettolic acid
Basic information
- Standard SMILES
O=C(O)CCCCC/C=C/CCCCCCCCO- InChIKey
MKIFOPBVDBXRTO-DUXPYHPUSA-N- Molecular formula
- C16H30O3
- Average molar mass
- 270.41 g/mol
Overview
Ambrettolic acid is an -hydroxy-long-chain fatty acid that is hexadec-7-enoic acid carrying a hydroxy group at position 16. It is a hydroxy monounsaturated fatty acid, an omega-hydroxy-long-chain fatty acid and a straight-chain fatty acid.
Names & identifiers
- Preferred name
- Ambrettolic acid
- IUPAC
- (E)-16-hydroxyhexadec-7-enoic acid
Names & synonyms
Ambrettolic acid16-hydroxy-7-hexadecenoic acid16-HYDROXYHEXADEC-7-ENOIC ACIDCHEBI:156198506-14-9RefChem:111875(E)-16-hydroxyhexadec-7-enoic acidambrettolsaureSCHEMBL580356MKIFOPBVDBXRTO-DUXPYHPUSA-NLMFA0105010688785-32-4
Database identifiers
- PubChem CID
- 5282940
- ChEBI
CHEBI:156198- Nikkaji
- J11.668H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Related reactions
2 records
Compound notes
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