ChemFOnt: Showing chemical card for 7-Hydroxy-D4-neuroprostane (CFc000008099)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:54:44 UTC

Chemfont ID

CFc000008099

Molecule Identification

Common Name

7-Hydroxy-D4-neuroprostane

Definition

7-Hydroxy-D4-neuroprostane, also known as 7-D4-NeuroP or 7H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 7-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 7-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
7,11-Dihydroxy-10,14-cyclo-13-oxo-4Z,8E,16Z,19Z-docosatetraenoate	HMDB
7,11-Dihydroxy-10,14-cyclo-13-oxo-4Z,8E,16Z,19Z-docosatetraenoic acid	HMDB
7H-D4np	HMDB

Chemical Formula

C₂₂H₃₂O₅

Average Molecular Weight

376.4865

Monoisotopic Molecular Weight

376.224974134

IUPAC Name

(4Z,8E)-7-hydroxy-9-{5-hydroxy-2-[(2Z,5Z)-octa-2,5-dien-1-yl]-3-oxocyclopentyl}nona-4,8-dienoic acid

Traditional Name

(4Z,8E)-7-hydroxy-9-{5-hydroxy-2-[(2Z,5Z)-octa-2,5-dien-1-yl]-3-oxocyclopentyl}nona-4,8-dienoic acid

CAS Registry Number

264597-33-3

SMILES

CC\C=C/C\C=C/CC1C(\C=C\C(O)C\C=C/CCC(O)=O)C(O)CC1=O

InChI Identifier

InChI=1S/C22H32O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-19,21,23,25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+

InChI Key

MBWYKQQOOVDDJT-UGCWMZKCSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents