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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-07-25 00:08:38 UTC
Update Date2022-03-07 02:51:27 UTC
HMDB IDHMDB0012855
Secondary Accession Numbers
  • HMDB12855
Metabolite Identification
Common Name7-Hydroxy-D4-neuroprostane
Description7-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
Data?1582753075
Synonyms
ValueSource
7-D4-NeuroPHMDB
7H-D4npHMDB
Chemical FormulaC22H32O5
Average Molecular Weight376.493
Monoisotopic Molecular Weight376.22497413
IUPAC Name(4Z,7S,8E)-7-hydroxy-9-[(1S,2R,5S)-5-hydroxy-2-[(2Z,5Z)-octa-2,5-dien-1-yl]-3-oxocyclopentyl]nona-4,8-dienoic acid
Traditional Name(4Z,7S,8E)-7-hydroxy-9-[(1S,2R,5S)-5-hydroxy-2-[(2Z,5Z)-octa-2,5-dien-1-yl]-3-oxocyclopentyl]nona-4,8-dienoic acid
CAS Registry NumberNot Available
SMILES
CC\C=C/C\C=C/C[C@@H]1[C@H](\C=C\[C@@H](O)C\C=C/CCC(O)=O)[C@@H](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+/t17-,18+,19-,21-/m0/s1
InChI KeyMBWYKQQOOVDDJT-DVVFIYPXSA-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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • Hydroxy fatty acid
  • Unsaturated fatty acid
  • Cyclopentanol
  • Cyclic alcohol
  • Cyclic ketone
  • Secondary alcohol
  • Ketone
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point67 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP2.82HANSCH,C ET AL. (1995)
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.024 g/LALOGPS
logP3.53ALOGPS
logP3.39ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)4.58ChemAxon
pKa (Strongest Basic)-1.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.83 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity110.87 m³·mol⁻¹ChemAxon
Polarizability41.65 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+202.40430932474
DeepCCS[M-H]-200.00830932474
DeepCCS[M-2H]-232.89330932474
DeepCCS[M+Na]+208.31630932474
AllCCS[M+H]+200.132859911
AllCCS[M+H-H2O]+197.532859911
AllCCS[M+NH4]+202.532859911
AllCCS[M+Na]+203.232859911
AllCCS[M-H]-196.732859911
AllCCS[M+Na-2H]-198.432859911
AllCCS[M+HCOO]-200.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
7-Hydroxy-D4-neuroprostaneCC\C=C/C\C=C/C[C@@H]1[C@H](\C=C\[C@@H](O)C\C=C/CCC(O)=O)[C@@H](O)CC1=O4734.2Standard polar33892256
7-Hydroxy-D4-neuroprostaneCC\C=C/C\C=C/C[C@@H]1[C@H](\C=C\[C@@H](O)C\C=C/CCC(O)=O)[C@@H](O)CC1=O2829.9Standard non polar33892256
7-Hydroxy-D4-neuroprostaneCC\C=C/C\C=C/C[C@@H]1[C@H](\C=C\[C@@H](O)C\C=C/CCC(O)=O)[C@@H](O)CC1=O3130.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
7-Hydroxy-D4-neuroprostane,1TMS,isomer #1CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C3107.9Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,1TMS,isomer #2CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C2993.5Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,1TMS,isomer #3CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O3033.8Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,1TMS,isomer #4CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C)C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O3022.4Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,1TMS,isomer #5CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O2945.6Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TMS,isomer #1CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C2999.3Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TMS,isomer #2CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2998.3Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TMS,isomer #3CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C)C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C3035.8Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TMS,isomer #4CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C2945.1Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TMS,isomer #5CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C2981.4Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TMS,isomer #6CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C)C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C2981.4Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TMS,isomer #7CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C2942.3Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TMS,isomer #8CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O3019.0Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TMS,isomer #9CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O2977.5Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TMS,isomer #1CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2953.8Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TMS,isomer #2CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C2980.1Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TMS,isomer #3CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C2945.9Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TMS,isomer #4CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C)C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2980.0Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TMS,isomer #5CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2933.4Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TMS,isomer #6CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C2975.1Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TMS,isomer #7CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C2957.0Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,4TMS,isomer #1CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2968.5Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,4TMS,isomer #1CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3011.8Standard non polar33892256
7-Hydroxy-D4-neuroprostane,4TMS,isomer #1CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2953.8Standard polar33892256
7-Hydroxy-D4-neuroprostane,4TMS,isomer #2CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2957.9Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,4TMS,isomer #2CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2797.7Standard non polar33892256
7-Hydroxy-D4-neuroprostane,4TMS,isomer #2CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2996.7Standard polar33892256
7-Hydroxy-D4-neuroprostane,1TBDMS,isomer #1CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C(C)(C)C3340.6Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,1TBDMS,isomer #2CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C3254.4Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,1TBDMS,isomer #3CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O3257.3Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,1TBDMS,isomer #4CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O3286.1Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,1TBDMS,isomer #5CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O3191.7Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TBDMS,isomer #1CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C(C)(C)C3466.3Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TBDMS,isomer #2CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3490.2Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TBDMS,isomer #3CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C(C)(C)C3504.7Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TBDMS,isomer #4CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C(C)(C)C3425.7Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TBDMS,isomer #5CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C3443.4Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TBDMS,isomer #6CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C3452.0Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TBDMS,isomer #7CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C3404.2Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TBDMS,isomer #8CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O3463.8Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,2TBDMS,isomer #9CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O3437.9Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TBDMS,isomer #1CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3665.1Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TBDMS,isomer #2CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C(C)(C)C3648.0Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TBDMS,isomer #3CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O)O[Si](C)(C)C(C)(C)C3639.0Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TBDMS,isomer #4CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3675.8Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TBDMS,isomer #5CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3620.6Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TBDMS,isomer #6CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C3649.7Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,3TBDMS,isomer #7CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C3649.3Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,4TBDMS,isomer #1CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3822.0Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,4TBDMS,isomer #1CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3634.3Standard non polar33892256
7-Hydroxy-D4-neuroprostane,4TBDMS,isomer #1CC/C=C\C/C=C\CC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3206.3Standard polar33892256
7-Hydroxy-D4-neuroprostane,4TBDMS,isomer #2CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3829.6Semi standard non polar33892256
7-Hydroxy-D4-neuroprostane,4TBDMS,isomer #2CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3348.1Standard non polar33892256
7-Hydroxy-D4-neuroprostane,4TBDMS,isomer #2CC/C=C\C/C=C\C[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/[C@H](C/C=C\CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3225.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 7-Hydroxy-D4-neuroprostane GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 10V, Positive-QTOFsplash10-0a4l-0019000000-080055c341a11de0b5522019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 20V, Positive-QTOFsplash10-06r7-2259000000-46c943e160b95946e3082019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 40V, Positive-QTOFsplash10-014i-9610000000-14e0c74991b4e6a5ea392019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 10V, Negative-QTOFsplash10-056r-0009000000-48dddb983bbc55b2e09d2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 20V, Negative-QTOFsplash10-0a4i-1019000000-016f1cfab326b25b97302019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 40V, Negative-QTOFsplash10-0a4i-9443000000-d96bd2bbb8e1f3c842d62019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 10V, Negative-QTOFsplash10-0a6r-0009000000-8759ded9966fde53b51c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 20V, Negative-QTOFsplash10-052r-0029000000-156c2c2a8f9bb327126c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 40V, Negative-QTOFsplash10-014l-9747000000-7ecbda7adf4dde13a75a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 10V, Positive-QTOFsplash10-0006-0019000000-343ea784cb97d477606a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 20V, Positive-QTOFsplash10-00kf-4369000000-075bdc93847a759d18302021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-D4-neuroprostane 40V, Positive-QTOFsplash10-066r-9200000000-47e120ab2f37c90b69102021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB029189
KNApSAcK IDNot Available
Chemspider ID74854242
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131840490
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.