10-nitrooleic acid
(E)-10-nitrooctadec-9-enoic acid
Molecular Identity
10-nitrooleic acid
(E)-10-nitrooctadec-9-enoic acid
PubChem CID: 24836820
(9E)-10-nitrooctadecenoic acid is a nitro fatty acid that is (9E)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 10. It has a role as a human metabolite. It is a long-chain fatty acid, a monounsaturated fatty acid and a nitro fatty acid. It is functionally related to an elaidic acid.
2D Structure
Properties
C18H33NO4
Molecular Formula
327.50
Molecular Weight
g/mol
327.2410
Exact Mass
Da
6.7
XLogP
Above Lipinski threshold
83.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
347
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
10-nitrooleic acid875685-46-4CXA-1010-nitro-oleic acidOa-NO29-Octadecenoic acid, 10-nitro-, (9E)-1N19AGY57YE-10-NO2-18:110-Nitro-9(E)-octadec-9-enoic acidDTXSID40134788710-nitro-octadec-9-enoic acid9-OA-NO2RefChem:919305NO2-OA9-nitro-octadec-9-cis-enoic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 10-nitrooleic acid
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