Basic information
- CAS
10136-52-4- Standard SMILES
CCCCCCC/C=C/CCCCCCCC(=O)O- InChIKey
QSBYPNXLFMSGKH-CMDGGOBGSA-N- Molecular formula
- C17H32O2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.24023026
Overview
9E-Heptadecenoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 9E-heptadecenoic acid
- IUPAC
- (E)-heptadec-9-enoic acid
Names & synonyms
9E-heptadecenoic acid(E)-Heptadec-9-enoic acidRefChem:107505076261-97-79-Heptadecenoic acidC17:1n-8FA 17:1(E)-9-Heptadecenoic acid(9E)-heptadec-9-enoic acidSCHEMBL4190759-Heptadecenoic acid, (E)-CHEBI:80550
Show more names
CTK2G0715DTXSID401020794LMFA01030289FA(17:1(9E))Q27149593
Database identifiers
- CAS
10136-52-4、76261-97-7- PubChem CID
- 5312440
- DTXSID
DTXSID401020794- ChEBI
CHEBI:80550- Nikkaji
- J2.803.679E、J606.179F
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Melting Point14.5 °C
Physical DescriptionLiquid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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