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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2017-08-01 02:17:00 UTC
Update Date2021-09-14 15:40:13 UTC
HMDB IDHMDB0094682
Secondary Accession Numbers
  • HMDB94682
Metabolite Identification
Common Name5alpha-Androstan-3alpha,17beta-diol disulfate
Description5alpha-Androstan-3alpha,17beta-diol disulfate, also known as 5α-androstan-3α,17β-diol disulfuric acid, is classified as a member of the sulfated steroids. Sulfated steroids are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Androstan-3alpha,17beta-diol disulfate is considered to be a practically insoluble (in water) and an extremely strong acidic compound. 5alpha-Androstan-3alpha,17beta-diol disulfate can be found in feces.
Structure
Data?1570206113
Synonyms
ValueSource
(3alpha,5alpha,17beta)-Androstane-3,17-diyl bis(hydrogen sulfate)ChEBI
(3a,5a,17b)-Androstane-3,17-diyl bis(hydrogen sulfate)Generator
(3a,5a,17b)-Androstane-3,17-diyl bis(hydrogen sulfuric acid)Generator
(3a,5a,17b)-Androstane-3,17-diyl bis(hydrogen sulphate)Generator
(3a,5a,17b)-Androstane-3,17-diyl bis(hydrogen sulphuric acid)Generator
(3alpha,5alpha,17beta)-Androstane-3,17-diyl bis(hydrogen sulfuric acid)Generator
(3alpha,5alpha,17beta)-Androstane-3,17-diyl bis(hydrogen sulphate)Generator
(3alpha,5alpha,17beta)-Androstane-3,17-diyl bis(hydrogen sulphuric acid)Generator
(3Α,5α,17β)-androstane-3,17-diyl bis(hydrogen sulfate)Generator
(3Α,5α,17β)-androstane-3,17-diyl bis(hydrogen sulfuric acid)Generator
(3Α,5α,17β)-androstane-3,17-diyl bis(hydrogen sulphate)Generator
(3Α,5α,17β)-androstane-3,17-diyl bis(hydrogen sulphuric acid)Generator
5a-Androstan-3a,17b-diol disulfateGenerator
5a-Androstan-3a,17b-diol disulfuric acidGenerator
5a-Androstan-3a,17b-diol disulphateGenerator
5a-Androstan-3a,17b-diol disulphuric acidGenerator
5alpha-Androstan-3alpha,17beta-diol disulfuric acidGenerator
5alpha-Androstan-3alpha,17beta-diol disulphateGenerator
5alpha-Androstan-3alpha,17beta-diol disulphuric acidGenerator
5Α-androstan-3α,17β-diol disulfateGenerator
5Α-androstan-3α,17β-diol disulfuric acidGenerator
5Α-androstan-3α,17β-diol disulphateGenerator
5Α-androstan-3α,17β-diol disulphuric acidGenerator
5a-Androstane-3a,17b-diol disulfateGenerator, HMDB
5a-Androstane-3a,17b-diol disulfuric acidGenerator, HMDB
5a-Androstane-3a,17b-diol disulphateGenerator, HMDB
5a-Androstane-3a,17b-diol disulphuric acidGenerator, HMDB
5alpha-Androstane-3alpha,17beta-diol disulfuric acidGenerator, HMDB
5alpha-Androstane-3alpha,17beta-diol disulphateGenerator, HMDB
5alpha-Androstane-3alpha,17beta-diol disulphuric acidGenerator, HMDB
5α-androstane-3α,17β-diol disulfateGenerator, HMDB
5α-androstane-3α,17β-diol disulfuric acidGenerator, HMDB
5α-androstane-3α,17β-diol disulphateGenerator, HMDB
5α-androstane-3α,17β-diol disulphuric acidGenerator, HMDB
5alpha-Androstan-3alpha,17beta-ylene sulfateHMDB
5alpha-Androstan-3alpha,17beta-ylene sulphateHMDB
5alpha-Androstane-3alpha,17beta-diol disulfateHMDB
5alpha-Androstane-3alpha,17beta-diol, 3,17-disulfateHMDB
5alpha-Androstane-3alpha,17beta-diol, 3,17-disulphateHMDB
5alpha-Androstane-3alpha,17beta-diol, bis(hydrogen sulfate)HMDB
5alpha-Androstane-3alpha,17beta-diol, bis(hydrogen sulphate)HMDB
5α-Androstan-3α,17β-ylene sulfateHMDB
5α-Androstan-3α,17β-ylene sulphateHMDB
5α-Androstane-3α,17β-diol disulfateHMDB
5α-Androstane-3α,17β-diol disulphateHMDB
5α-Androstane-3α,17β-diol, 3,17-disulfateHMDB
5α-Androstane-3α,17β-diol, 3,17-disulphateHMDB
5α-Androstane-3α,17β-diol, bis(hydrogen sulfate)HMDB
5α-Androstane-3α,17β-diol, bis(hydrogen sulphate)HMDB
Chemical FormulaC19H32O8S2
Average Molecular Weight452.58
Monoisotopic Molecular Weight452.153860338
IUPAC Name[(1S,2S,5R,7S,10R,11S,14S,15S)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxidanesulfonic acid
Traditional Name[(1S,2S,5R,7S,10R,11S,14S,15S)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxidanesulfonic acid
CAS Registry Number21152-49-8
SMILES
[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O
InChI Identifier
InChI=1S/C19H32O8S2/c1-18-9-7-13(26-28(20,21)22)11-12(18)3-4-14-15-5-6-17(27-29(23,24)25)19(15,2)10-8-16(14)18/h12-17H,3-11H2,1-2H3,(H,20,21,22)(H,23,24,25)/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
InChI KeyJHFAETDERBWUOO-KHOSGYARSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassSulfated steroids
Direct ParentSulfated steroids
Alternative Parents
Substituents
  • Sulfated steroid skeleton
  • Androstane-skeleton
  • Sulfuric acid ester
  • Alkyl sulfate
  • Sulfate-ester
  • Sulfuric acid monoester
  • Organic sulfuric acid or derivatives
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.87ALOGPS
logP3.31ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)-1.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area127.2 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity104.61 m³·mol⁻¹ChemAxon
Polarizability46.77 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+203.72831661259
DarkChem[M-H]-194.43331661259
DeepCCS[M-2H]-240.80530932474
DeepCCS[M+Na]+214.99330932474
AllCCS[M+H]+203.132859911
AllCCS[M+H-H2O]+201.332859911
AllCCS[M+NH4]+204.832859911
AllCCS[M+Na]+205.332859911
AllCCS[M-H]-196.432859911
AllCCS[M+Na-2H]-197.432859911
AllCCS[M+HCOO]-198.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
5alpha-Androstan-3alpha,17beta-diol disulfate[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O4251.5Standard polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O3337.4Standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O3677.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
5alpha-Androstan-3alpha,17beta-diol disulfate,1TMS,isomer #1C[C@]12CC[C@@H](OS(=O)(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O[Si](C)(C)C)CC[C@@H]123524.2Semi standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TMS,isomer #1C[C@]12CC[C@@H](OS(=O)(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O[Si](C)(C)C)CC[C@@H]123516.4Standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TMS,isomer #1C[C@]12CC[C@@H](OS(=O)(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O[Si](C)(C)C)CC[C@@H]124779.3Standard polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TMS,isomer #2C[C@]12CC[C@@H](OS(=O)(=O)O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]123533.5Semi standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TMS,isomer #2C[C@]12CC[C@@H](OS(=O)(=O)O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]123522.6Standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TMS,isomer #2C[C@]12CC[C@@H](OS(=O)(=O)O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]124728.9Standard polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,2TMS,isomer #1C[C@]12CC[C@@H](OS(=O)(=O)O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O[Si](C)(C)C)CC[C@@H]123539.8Semi standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,2TMS,isomer #1C[C@]12CC[C@@H](OS(=O)(=O)O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O[Si](C)(C)C)CC[C@@H]123723.7Standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,2TMS,isomer #1C[C@]12CC[C@@H](OS(=O)(=O)O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O[Si](C)(C)C)CC[C@@H]124624.6Standard polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C3743.5Semi standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C3834.9Standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C4889.7Standard polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]32)C13765.0Semi standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]32)C13853.7Standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]32)C14834.1Standard polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C3977.5Semi standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C4340.8Standard non polar33892256
5alpha-Androstan-3alpha,17beta-diol disulfate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OS(=O)(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C4727.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate GC-MS (Non-derivatized) - 70eV, Positivesplash10-076r-0149500000-9bb4f0ad0b2cf48f04a02017-09-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 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 - 5alpha-Androstan-3alpha,17beta-diol disulfate 10V, Negative-QTOFsplash10-0udi-0005900000-90e38cd71c7e9ac0a1f82017-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 20V, Negative-QTOFsplash10-00di-1079100000-976c0cda8b6735ebbf412017-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 40V, Negative-QTOFsplash10-001r-9065000000-ec746064aea15981d4362017-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 10V, Positive-QTOFsplash10-0udi-0028900000-0c83ed2b26d09e0cc09f2017-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 20V, Positive-QTOFsplash10-0a4i-0095000000-6b225ae37cae84f540422017-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 40V, Positive-QTOFsplash10-001j-1492000000-56f2a979b080c814f6e92017-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 10V, Negative-QTOFsplash10-0udi-0000900000-9950b041d95e0821557b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 20V, Negative-QTOFsplash10-0udj-7000900000-aa0196952253c079a4d52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 40V, Negative-QTOFsplash10-0002-9000200000-8152a3a701767558f4a32021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 10V, Positive-QTOFsplash10-0udi-0002900000-7d5948e032d77b00a41a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 20V, Positive-QTOFsplash10-0ab9-0092000000-a47f27f0f65376635a642021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5alpha-Androstan-3alpha,17beta-diol disulfate 40V, Positive-QTOFsplash10-0a4i-2982000000-fbf2afdc8496b4e2df872021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB066599
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound56639109
PDB IDNot Available
ChEBI ID133101
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.