Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 21:34:21 UTC
Update Date2022-03-07 02:54:55 UTC
HMDB IDHMDB0036434
Secondary Accession Numbers
  • HMDB36434
Metabolite Identification
Common NameLucidenic acid E2
DescriptionLucidenic acid E2, also known as lucidenate E2, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Lucidenic acid E2 is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563862875
Synonyms
ValueSource
Lucidenate e2Generator
12b-Acetoxy-3b-hydroxy-4,4,14-trimethyl-7,11,15-trioxochol-8-en-24-Oic acid, 9ciHMDB
12b-Acetoxy-3b-hydroxy-7,11,15-trioxo-25,26,27-trisnorlanost-8-en-24-Oic acidHMDB
Lucidenic acid eHMDB
4-[16-(Acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoateGenerator
Chemical FormulaC29H40O8
Average Molecular Weight516.6231
Monoisotopic Molecular Weight516.272318256
IUPAC Name4-[16-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid
Traditional Name4-[16-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid
CAS Registry Number98665-17-9
SMILES
CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O
InChI Identifier
InChI=1S/C29H40O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18-19,25,32H,8-13H2,1-7H3,(H,34,35)
InChI KeyASPCIAWQVXVATP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTriterpenoids
Direct ParentTriterpenoids
Alternative Parents
Substituents
  • Triterpenoid
  • Hydroxy bile acid, alcohol, or derivatives
  • Monohydroxy bile acid, alcohol, or derivatives
  • Bile acid, alcohol, or derivatives
  • Steroid ester
  • 3-hydroxysteroid
  • Hydroxysteroid
  • 11-oxosteroid
  • 15-oxosteroid
  • Oxosteroid
  • 7-oxosteroid
  • Steroid
  • Cyclohexenone
  • Alpha-acyloxy ketone
  • Dicarboxylic acid or derivatives
  • Cyclic alcohol
  • Ketone
  • Secondary alcohol
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Alcohol
  • 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
Water Solubility0.0087 g/LALOGPS
logP3.42ALOGPS
logP3.34ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)3.94ChemAxon
pKa (Strongest Basic)-0.78ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area135.04 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity134.18 m³·mol⁻¹ChemAxon
Polarizability55.67 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+220.08731661259
DarkChem[M-H]-210.68831661259
DeepCCS[M-2H]-248.58330932474
DeepCCS[M+Na]+224.00730932474
AllCCS[M+H]+217.632859911
AllCCS[M+H-H2O]+216.132859911
AllCCS[M+NH4]+219.032859911
AllCCS[M+Na]+219.432859911
AllCCS[M-H]-222.032859911
AllCCS[M+Na-2H]-224.332859911
AllCCS[M+HCOO]-227.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Lucidenic acid E2CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O5173.0Standard polar33892256
Lucidenic acid E2CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O3203.0Standard non polar33892256
Lucidenic acid E2CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O3818.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Lucidenic acid E2,1TMS,isomer #1CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3714.6Semi standard non polar33892256
Lucidenic acid E2,1TMS,isomer #2CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3728.5Semi standard non polar33892256
Lucidenic acid E2,1TMS,isomer #3CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3596.5Semi standard non polar33892256
Lucidenic acid E2,1TMS,isomer #4CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3661.1Semi standard non polar33892256
Lucidenic acid E2,1TMS,isomer #5CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3646.0Semi standard non polar33892256
Lucidenic acid E2,2TMS,isomer #1CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3629.2Semi standard non polar33892256
Lucidenic acid E2,2TMS,isomer #10CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3527.5Semi standard non polar33892256
Lucidenic acid E2,2TMS,isomer #2CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3525.5Semi standard non polar33892256
Lucidenic acid E2,2TMS,isomer #3CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3545.7Semi standard non polar33892256
Lucidenic acid E2,2TMS,isomer #4CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3547.1Semi standard non polar33892256
Lucidenic acid E2,2TMS,isomer #5CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3527.4Semi standard non polar33892256
Lucidenic acid E2,2TMS,isomer #6CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3581.2Semi standard non polar33892256
Lucidenic acid E2,2TMS,isomer #7CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3558.7Semi standard non polar33892256
Lucidenic acid E2,2TMS,isomer #8CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3469.7Semi standard non polar33892256
Lucidenic acid E2,2TMS,isomer #9CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3467.2Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #1CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3451.5Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #1CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3760.7Standard non polar33892256
Lucidenic acid E2,3TMS,isomer #10CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3414.1Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #10CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3493.7Standard non polar33892256
Lucidenic acid E2,3TMS,isomer #2CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3471.5Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #2CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3664.0Standard non polar33892256
Lucidenic acid E2,3TMS,isomer #3CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3452.1Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #3CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3495.0Standard non polar33892256
Lucidenic acid E2,3TMS,isomer #4CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3409.9Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #4CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3745.7Standard non polar33892256
Lucidenic acid E2,3TMS,isomer #5CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3391.4Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #5CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3578.0Standard non polar33892256
Lucidenic acid E2,3TMS,isomer #6CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3432.7Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #6CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3478.7Standard non polar33892256
Lucidenic acid E2,3TMS,isomer #7CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3442.1Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #7CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3671.4Standard non polar33892256
Lucidenic acid E2,3TMS,isomer #8CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3398.9Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #8CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3501.8Standard non polar33892256
Lucidenic acid E2,3TMS,isomer #9CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3464.5Semi standard non polar33892256
Lucidenic acid E2,3TMS,isomer #9CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3414.4Standard non polar33892256
Lucidenic acid E2,4TMS,isomer #1CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3375.7Semi standard non polar33892256
Lucidenic acid E2,4TMS,isomer #1CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3715.3Standard non polar33892256
Lucidenic acid E2,4TMS,isomer #2CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3338.3Semi standard non polar33892256
Lucidenic acid E2,4TMS,isomer #2CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3553.4Standard non polar33892256
Lucidenic acid E2,4TMS,isomer #3CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3387.7Semi standard non polar33892256
Lucidenic acid E2,4TMS,isomer #3CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3463.0Standard non polar33892256
Lucidenic acid E2,4TMS,isomer #4CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3349.6Semi standard non polar33892256
Lucidenic acid E2,4TMS,isomer #4CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3539.3Standard non polar33892256
Lucidenic acid E2,4TMS,isomer #5CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3381.6Semi standard non polar33892256
Lucidenic acid E2,4TMS,isomer #5CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O)C12C3474.5Standard non polar33892256
Lucidenic acid E2,5TMS,isomer #1CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3335.2Semi standard non polar33892256
Lucidenic acid E2,5TMS,isomer #1CC(=O)OC1=C(O[Si](C)(C)C)C2=C(C(O[Si](C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C)C12C3523.6Standard non polar33892256
Lucidenic acid E2,1TBDMS,isomer #1CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C3967.9Semi standard non polar33892256
Lucidenic acid E2,1TBDMS,isomer #2CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3957.5Semi standard non polar33892256
Lucidenic acid E2,1TBDMS,isomer #3CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3854.3Semi standard non polar33892256
Lucidenic acid E2,1TBDMS,isomer #4CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O)C12C3900.7Semi standard non polar33892256
Lucidenic acid E2,1TBDMS,isomer #5CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3900.4Semi standard non polar33892256
Lucidenic acid E2,2TBDMS,isomer #1CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4109.6Semi standard non polar33892256
Lucidenic acid E2,2TBDMS,isomer #10CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O)C12C3973.0Semi standard non polar33892256
Lucidenic acid E2,2TBDMS,isomer #2CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C3981.4Semi standard non polar33892256
Lucidenic acid E2,2TBDMS,isomer #3CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C3997.2Semi standard non polar33892256
Lucidenic acid E2,2TBDMS,isomer #4CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4025.2Semi standard non polar33892256
Lucidenic acid E2,2TBDMS,isomer #5CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3994.2Semi standard non polar33892256
Lucidenic acid E2,2TBDMS,isomer #6CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C4036.8Semi standard non polar33892256
Lucidenic acid E2,2TBDMS,isomer #7CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O)C12C4034.7Semi standard non polar33892256
Lucidenic acid E2,2TBDMS,isomer #8CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C3936.0Semi standard non polar33892256
Lucidenic acid E2,2TBDMS,isomer #9CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O)C12C3931.0Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #1CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4117.8Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #1CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4371.6Standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #10CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O)C12C4037.8Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #10CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O)C12C4007.9Standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #2CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4148.5Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #2CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4244.9Standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #3CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4154.0Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #3CC(=O)OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4071.9Standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #4CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4042.6Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #4CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4316.4Standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #5CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4022.5Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #5CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4145.1Standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #6CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4075.8Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #6CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O[Si](C)(C)C(C)(C)C)C12C4011.6Standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #7CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C4098.1Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #7CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(=O)CC(C(C)CCC(=O)O)C12C4241.6Standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #8CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O)C12C4073.7Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #8CC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(C(=O)CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O)C12C4056.3Standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #9CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O)C12C4126.1Semi standard non polar33892256
Lucidenic acid E2,3TBDMS,isomer #9CC(=O)OC1C(=O)C2=C(C(O[Si](C)(C)C(C)(C)C)=CC3C2(C)CCC(O[Si](C)(C)C(C)(C)C)C3(C)C)C2(C)C(O[Si](C)(C)C(C)(C)C)=CC(C(C)CCC(=O)O)C12C3935.5Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Lucidenic acid E2 GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-2010910000-0c211f3572633877fb132017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lucidenic acid E2 GC-MS (2 TMS) - 70eV, Positivesplash10-0002-3100129000-bcfef14b59f8be0dabfa2017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 10V, Positive-QTOFsplash10-000t-0000910000-ca2d029e28d6bfd78bba2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 20V, Positive-QTOFsplash10-0kas-0000900000-745dc133a265c38c54ad2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 40V, Positive-QTOFsplash10-0gbi-5414900000-a34ad28ffbea69eb5deb2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 10V, Negative-QTOFsplash10-01b9-1000970000-cc84d5d25a5ff0af29782016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 20V, Negative-QTOFsplash10-0avi-1000910000-05ce1ea77569870abe0e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 40V, Negative-QTOFsplash10-0a4i-9020700000-97d8e5ec32a715898ffd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 10V, Positive-QTOFsplash10-014j-0001950000-cf5c8e306b76ef448bab2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 20V, Positive-QTOFsplash10-0aw9-2004910000-924d4b6595759566a6252021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 40V, Positive-QTOFsplash10-0a4l-9312400000-62a128df39e9ad5e097d2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 10V, Negative-QTOFsplash10-014i-0000290000-4af2cdbb6b72ea25dd562021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 20V, Negative-QTOFsplash10-066r-7001490000-36dbb73e657262062a712021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid E2 40V, Negative-QTOFsplash10-052f-9001820000-63dcabd3457e25c7472f2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
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 IDFDB015321
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound74028535
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.