Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 21:34:29 UTC
Update Date2022-03-07 02:54:55 UTC
HMDB IDHMDB0036436
Secondary Accession Numbers
  • HMDB36436
Metabolite Identification
Common NameLucidenic acid F
DescriptionLucidenic acid F, also known as lucidenate F, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Lucidenic acid F is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563862875
Synonyms
ValueSource
Lucidenate FGenerator
25,26,27-Trinor-3,7,11,15-tetraoxolanost-8-en-24-Oic acidHMDB
4,4,14-Trimethyl-3,7,11,15-tetraoxochol-8-en-24-Oic acidHMDB
4-{2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}pentanoateGenerator
Chemical FormulaC27H36O6
Average Molecular Weight456.5711
Monoisotopic Molecular Weight456.251188884
IUPAC Name4-{2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}pentanoic acid
Traditional Name4-{2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}pentanoic acid
CAS Registry Number98665-18-0
SMILES
CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
InChI Identifier
InChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-15,18H,7-13H2,1-6H3,(H,32,33)
InChI KeyGLUXWRYPXYKXKV-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 ParentsNot Available
SubstituentsNot Available
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 Solubility0.0047 g/LALOGPS
logP3.64ALOGPS
logP4.18ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)4.19ChemAxon
pKa (Strongest Basic)-7.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area105.58 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity122.87 m³·mol⁻¹ChemAxon
Polarizability49.53 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]+206.06231661259
DarkChem[M-H]-200.17831661259
DeepCCS[M-2H]-241.91430932474
DeepCCS[M+Na]+217.33930932474
AllCCS[M+H]+207.332859911
AllCCS[M+H-H2O]+205.432859911
AllCCS[M+NH4]+209.032859911
AllCCS[M+Na]+209.532859911
AllCCS[M-H]-213.132859911
AllCCS[M+Na-2H]-214.732859911
AllCCS[M+HCOO]-216.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Lucidenic acid FCC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O4784.4Standard polar33892256
Lucidenic acid FCC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3038.1Standard non polar33892256
Lucidenic acid FCC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3750.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Lucidenic acid F,1TMS,isomer #1CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3632.1Semi standard non polar33892256
Lucidenic acid F,1TMS,isomer #2CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3528.1Semi standard non polar33892256
Lucidenic acid F,1TMS,isomer #3CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3537.4Semi standard non polar33892256
Lucidenic acid F,1TMS,isomer #4CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3538.1Semi standard non polar33892256
Lucidenic acid F,1TMS,isomer #5CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3522.0Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #1CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3449.4Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #1CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3380.3Standard non polar33892256
Lucidenic acid F,2TMS,isomer #10CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3400.0Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #10CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3377.3Standard non polar33892256
Lucidenic acid F,2TMS,isomer #2CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3485.2Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #2CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3520.4Standard non polar33892256
Lucidenic acid F,2TMS,isomer #3CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3457.0Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #3CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3411.4Standard non polar33892256
Lucidenic acid F,2TMS,isomer #4CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3473.1Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #4CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3530.7Standard non polar33892256
Lucidenic acid F,2TMS,isomer #5CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3382.7Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #5CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3351.5Standard non polar33892256
Lucidenic acid F,2TMS,isomer #6CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3361.5Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #6CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3250.4Standard non polar33892256
Lucidenic acid F,2TMS,isomer #7CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3413.8Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #7CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3317.9Standard non polar33892256
Lucidenic acid F,2TMS,isomer #8CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3396.4Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #8CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3360.0Standard non polar33892256
Lucidenic acid F,2TMS,isomer #9CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3405.4Semi standard non polar33892256
Lucidenic acid F,2TMS,isomer #9CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3442.9Standard non polar33892256
Lucidenic acid F,3TMS,isomer #1CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3290.3Semi standard non polar33892256
Lucidenic acid F,3TMS,isomer #1CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3418.6Standard non polar33892256
Lucidenic acid F,3TMS,isomer #10CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3285.7Semi standard non polar33892256
Lucidenic acid F,3TMS,isomer #10CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3409.7Standard non polar33892256
Lucidenic acid F,3TMS,isomer #2CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3265.4Semi standard non polar33892256
Lucidenic acid F,3TMS,isomer #2CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3309.7Standard non polar33892256
Lucidenic acid F,3TMS,isomer #3CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3322.2Semi standard non polar33892256
Lucidenic acid F,3TMS,isomer #3CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3382.9Standard non polar33892256
Lucidenic acid F,3TMS,isomer #4CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3308.3Semi standard non polar33892256
Lucidenic acid F,3TMS,isomer #4CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3431.0Standard non polar33892256
Lucidenic acid F,3TMS,isomer #5CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3314.3Semi standard non polar33892256
Lucidenic acid F,3TMS,isomer #5CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3536.8Standard non polar33892256
Lucidenic acid F,3TMS,isomer #6CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3309.7Semi standard non polar33892256
Lucidenic acid F,3TMS,isomer #6CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3448.2Standard non polar33892256
Lucidenic acid F,3TMS,isomer #7CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3249.0Semi standard non polar33892256
Lucidenic acid F,3TMS,isomer #7CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3301.0Standard non polar33892256
Lucidenic acid F,3TMS,isomer #8CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3297.3Semi standard non polar33892256
Lucidenic acid F,3TMS,isomer #8CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3366.3Standard non polar33892256
Lucidenic acid F,3TMS,isomer #9CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3294.1Semi standard non polar33892256
Lucidenic acid F,3TMS,isomer #9CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3266.7Standard non polar33892256
Lucidenic acid F,4TMS,isomer #1CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3162.8Semi standard non polar33892256
Lucidenic acid F,4TMS,isomer #1CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O3359.4Standard non polar33892256
Lucidenic acid F,4TMS,isomer #2CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3222.7Semi standard non polar33892256
Lucidenic acid F,4TMS,isomer #2CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C3414.9Standard non polar33892256
Lucidenic acid F,4TMS,isomer #3CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3211.4Semi standard non polar33892256
Lucidenic acid F,4TMS,isomer #3CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3328.7Standard non polar33892256
Lucidenic acid F,4TMS,isomer #4CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3187.8Semi standard non polar33892256
Lucidenic acid F,4TMS,isomer #4CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3462.6Standard non polar33892256
Lucidenic acid F,4TMS,isomer #5CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3228.7Semi standard non polar33892256
Lucidenic acid F,4TMS,isomer #5CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3320.5Standard non polar33892256
Lucidenic acid F,5TMS,isomer #1CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3169.0Semi standard non polar33892256
Lucidenic acid F,5TMS,isomer #1CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C3373.9Standard non polar33892256
Lucidenic acid F,1TBDMS,isomer #1CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3911.0Semi standard non polar33892256
Lucidenic acid F,1TBDMS,isomer #2CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3767.4Semi standard non polar33892256
Lucidenic acid F,1TBDMS,isomer #3CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3804.9Semi standard non polar33892256
Lucidenic acid F,1TBDMS,isomer #4CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3787.6Semi standard non polar33892256
Lucidenic acid F,1TBDMS,isomer #5CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3782.2Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #1CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3934.3Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #1CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3776.2Standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #10CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3859.2Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #10CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3730.7Standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #2CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3947.8Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #2CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3941.2Standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #3CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3963.0Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #3CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3809.5Standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #4CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3923.7Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #4CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3945.7Standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #5CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3834.1Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #5CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3706.4Standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #6CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3826.6Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #6CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3574.1Standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #7CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3867.7Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #7CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3667.2Standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #8CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3852.6Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #8CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3723.6Standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #9CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3862.1Semi standard non polar33892256
Lucidenic acid F,2TBDMS,isomer #9CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3827.1Standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #1CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3946.9Semi standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #1CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O3950.4Standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #10CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3918.7Semi standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #10CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3904.7Standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #2CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3948.3Semi standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #2CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3795.2Standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #3CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3980.0Semi standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #3CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3911.0Standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #4CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3965.2Semi standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #4CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3963.5Standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #5CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3950.6Semi standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #5CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C4084.7Standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #6CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3948.1Semi standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #6CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3976.2Standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #7CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3881.4Semi standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #7CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O3760.4Standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #8CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3925.2Semi standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #8CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3857.1Standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #9CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3929.9Semi standard non polar33892256
Lucidenic acid F,3TBDMS,isomer #9CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C3715.9Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Lucidenic acid F GC-MS (Non-derivatized) - 70eV, Positivesplash10-0h0u-0005900000-f383265f406d9c4e03932017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lucidenic acid F GC-MS (1 TMS) - 70eV, Positivesplash10-0iki-3214980000-f87c7f0fac25300a09672017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lucidenic acid F GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lucidenic acid F 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 - Lucidenic acid F 10V, Positive-QTOFsplash10-059i-0001900000-c6965ff6a2fdd72a599f2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 20V, Positive-QTOFsplash10-01y9-0005900000-88485bcf0a868650bcd22016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 40V, Positive-QTOFsplash10-0f6t-9625400000-96ffdcd6b2bb71ed5a702016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 10V, Negative-QTOFsplash10-0a4i-0000900000-bfdd25f72869e42312632016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 20V, Negative-QTOFsplash10-0a4i-1000900000-a7eda313256b989dae112016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 40V, Negative-QTOFsplash10-0a4i-9131300000-d16b11801e17ed73d9252016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 10V, Negative-QTOFsplash10-0a4i-0000900000-b52976705c7633ef57652021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 20V, Negative-QTOFsplash10-0a59-0019800000-da4f1c3237cd39612faa2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 40V, Negative-QTOFsplash10-05o1-0009200000-c2b7125c93e539392a332021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 10V, Positive-QTOFsplash10-0a4r-3007900000-4281d75ec568f54305322021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 20V, Positive-QTOFsplash10-0a4r-6009200000-4b34e5eb4d4047719fa12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lucidenic acid F 40V, Positive-QTOFsplash10-0a4r-6139500000-368f7803a97814da1b302021-09-22Wishart 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 IDFDB015323
KNApSAcK IDC00024066
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound74028536
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.