Neuroprotectin D1
(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
Molecular Identity
Neuroprotectin D1
(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
PubChem CID: 16042541
Protectin D1 is a dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17S-stereoisomer). Protectin D1 is one of the specialised proresolving mediators. When produced in neural tissues, it is called neuroprotectin D1. It has a role as a specialised pro-resolving mediator, a hepatoprotective agent, a neuroprotective agent, an anti-inflammatory agent, an apoptosis inhibitor, a PPARgamma agonist and a human xenobiotic metabolite. It is a secondary allylic alcohol, a dihydroxydocosahexaenoic acid and a protectin. It is a conjugate acid of a protectin D1(1-).
2D Structure
Properties
C22H32O4
Molecular Formula
360.50
Molecular Weight
g/mol
360.2301
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
77.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
524
Complexity
SMILES
Canonical SMILES
SMILES: CCC=CCC(C=CC=CC=CC(CC=CCC=CCCC(=O)O)O)OIsomeric SMILES
SMILES: CC/C=C\C[C@@H](/C=C\C=C\C=C\[C@@H](C/C=C\C/C=C\CCC(=O)O)O)OSynonyms(20)
Neuroprotectin D1protectin D1660430-03-5NPD1NPD-1AP-001P3FX063KLICHEBI:138655DTXSID10103166310R,17S-dihydroxy-4Z,7Z,11E,13E,15Z,19Z-docosahexaenoic acid(4Z,7Z,10R,11E,13E,15Z,17S,19Z) 10,17-DIHYDROXY-DOCOSA-4,7,11,13,15,19-HEXAENOIC ACID4,7,11,13,15,19-DOCOSAHEXAENOIC ACID, 10,17-DIHYDROXY-, (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-RefChem:927680DTXCID901516677(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Neuroprotectin D1
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