Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-08-12 17:03:41 UTC
Update Date2021-09-14 15:46:40 UTC
HMDB IDHMDB0006834
Secondary Accession Numbers
  • HMDB06834
Metabolite Identification
Common NameD-Pantothenoyl-L-cysteine
DescriptionD-Pantothenoyl-L-cysteine belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. D-Pantothenoyl-L-cysteine is an extremely weak basic (essentially neutral) compound (based on its pKa). D-Pantothenoyl-L-cysteine exists in all living organisms, ranging from bacteria to humans. D-pantothenoyl-L-cysteine can be converted into 4'-phosphopantothenoylcysteine; which is mediated by the enzyme pantothenate kinase 1. In humans, D-pantothenoyl-L-cysteine is involved in pantothenate and coa biosynthesis.
Structure
Data?1582752408
Synonyms
ValueSource
N-((R)-Pantothenoyl)-L-cysteineChEBI
N-PantothenoylcysteineKegg
N-PantothenoylcysteinHMDB
Chemical FormulaC12H22N2O6S
Average Molecular Weight322.378
Monoisotopic Molecular Weight322.119857136
IUPAC Name(2R)-2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}-3-sulfanylpropanoic acid
Traditional Name(2R)-2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}-3-sulfanylpropanoic acid
CAS Registry NumberNot Available
SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O
InChI Identifier
InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1
InChI KeyQSYCTARXWYLMOF-CBAPKCEASA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassPeptidomimetics
Sub ClassHybrid peptides
Direct ParentHybrid peptides
Alternative Parents
Substituents
  • Hybrid peptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Cysteine or derivatives
  • Beta amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Fatty amide
  • Monosaccharide
  • N-acyl-amine
  • Fatty acyl
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxamide group
  • Carboxylic acid derivative
  • Carboxylic acid
  • Alkylthiol
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organopnictogen compound
  • Alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Primary alcohol
  • Organooxygen compound
  • Organosulfur compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Source

Process

Naturally occurring process

Physical Properties
StateSolid
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 Solubility0.5 g/LALOGPS
logP-0.7ALOGPS
logP-1.8ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)3.48ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area135.96 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity76.53 m³·mol⁻¹ChemAxon
Polarizability32.2 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+173.14531661259
DarkChem[M-H]-168.21531661259
DeepCCS[M+H]+178.86830932474
DeepCCS[M-H]-176.5130932474
DeepCCS[M-2H]-210.05630932474
DeepCCS[M+Na]+185.28330932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-Pantothenoyl-L-cysteineCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O3999.7Standard polar33892256
D-Pantothenoyl-L-cysteineCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O2367.2Standard non polar33892256
D-Pantothenoyl-L-cysteineCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O2885.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-Pantothenoyl-L-cysteine,1TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O2668.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,1TMS,isomer #2CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O2639.0Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,1TMS,isomer #3CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C2643.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,1TMS,isomer #4CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O2746.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,1TMS,isomer #5CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O)[Si](C)(C)C2664.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,1TMS,isomer #6CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C2630.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O2666.0Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #10CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C2731.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #11CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2648.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #12CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2620.0Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #13CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2745.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #14CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2725.7Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #15CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2606.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #2CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C2657.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #3CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O2748.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #4CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O)[Si](C)(C)C2696.0Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #5CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C2660.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #6CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C2625.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #7CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O2720.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #8CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O)[Si](C)(C)C2660.0Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TMS,isomer #9CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C2603.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C2661.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #10CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2635.0Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #11CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C2716.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #12CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2630.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #13CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2577.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #14CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2730.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #15CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2693.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #16CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2600.0Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #17CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2730.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #18CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2720.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #19CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2599.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #2CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O2750.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #20CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2699.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #3CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O)[Si](C)(C)C2673.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #4CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C2623.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #5CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C2738.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #6CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2651.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #7CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2620.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #8CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2763.7Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TMS,isomer #9CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2739.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C2737.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C2678.1Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C3116.1Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #10CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2731.7Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #10CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2776.5Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #10CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C3425.1Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #11CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2713.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #11CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2693.0Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #11CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3310.5Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #12CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2694.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #12CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2704.7Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #12CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3267.0Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #13CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2584.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #13CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2677.6Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #13CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3223.8Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #14CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2708.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #14CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2757.7Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #14CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C3383.4Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #15CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2717.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #15CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2735.4Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #15CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3450.2Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #2CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2632.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #2CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2613.8Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #2CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C3172.9Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #3CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2595.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #3CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C2654.9Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #3CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C3148.0Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #4CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2748.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #4CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2726.9Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #4CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C3247.6Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #5CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2717.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #5CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C2729.5Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #5CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C3169.4Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #6CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2631.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #6CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2697.5Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #6CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C)[Si](C)(C)C3187.0Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #7CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2729.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #7CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2710.4Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #7CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3356.4Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #8CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2725.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #8CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2724.1Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #8CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3323.3Standard polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #9CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2614.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #9CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2694.3Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TMS,isomer #9CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3246.9Standard polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2724.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2742.0Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2922.5Standard polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #2CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2713.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #2CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2756.5Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #2CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2881.2Standard polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #3CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2604.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #3CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2753.1Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #3CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3093.0Standard polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #4CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2748.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #4CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2805.6Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #4CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2993.4Standard polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #5CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2742.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #5CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2791.1Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #5CC(C)(CO[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3142.1Standard polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #6CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2712.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #6CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2772.9Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TMS,isomer #6CC(C)(CO)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3089.3Standard polar33892256
D-Pantothenoyl-L-cysteine,6TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2742.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,6TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2831.4Standard non polar33892256
D-Pantothenoyl-L-cysteine,6TMS,isomer #1CC(C)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2802.2Standard polar33892256
D-Pantothenoyl-L-cysteine,1TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O2919.0Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,1TBDMS,isomer #2CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O2901.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,1TBDMS,isomer #3CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C2925.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,1TBDMS,isomer #4CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O3004.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,1TBDMS,isomer #5CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C2928.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,1TBDMS,isomer #6CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C2907.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O3137.0Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #10CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3217.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #11CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3143.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #12CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3135.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #13CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3210.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #14CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3230.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #15CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3132.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #2CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C3152.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #3CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O3201.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #4CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C3172.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #5CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C3140.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #6CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C3138.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #7CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O3203.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #8CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C3154.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,2TBDMS,isomer #9CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C3112.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C3365.7Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #10CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3365.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #11CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3429.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #12CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3356.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #13CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3317.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #14CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3428.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #15CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3428.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #16CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3347.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #17CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3422.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #18CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3458.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #19CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3322.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #2CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O3425.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #20CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3411.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #3CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C3381.7Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #4CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C3337.7Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #5CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3436.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #6CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3368.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #7CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3354.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #8CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3432.3Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,3TBDMS,isomer #9CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3457.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3640.9Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3364.1Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3414.7Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #10CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3650.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #10CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3432.3Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #10CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3652.9Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #11CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3626.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #11CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3379.2Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #11CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3551.0Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #12CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3647.7Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #12CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3383.9Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #12CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3519.0Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #13CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3529.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #13CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3380.9Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #13CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3556.4Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #14CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3641.7Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #14CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3416.4Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #14CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3604.0Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #15CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3619.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #15CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3418.7Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #15CC(C)(CO)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3665.9Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #2CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3583.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #2CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3325.2Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #2CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3513.2Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #3CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3534.8Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #3CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3344.7Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #3CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3483.6Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #4CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3666.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #4CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3401.7Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #4CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3501.7Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #5CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3651.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #5CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3391.6Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #5CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3455.7Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #6CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3578.7Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #6CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3386.2Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #6CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3523.2Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #7CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3633.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #7CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3397.7Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #7CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3601.5Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #8CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3670.5Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #8CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3400.5Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #8CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3575.5Standard polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #9CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3543.2Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #9CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3391.6Standard non polar33892256
D-Pantothenoyl-L-cysteine,4TBDMS,isomer #9CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3581.3Standard polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3839.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3540.6Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N[C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3369.6Standard polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #2CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3849.6Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #2CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3541.7Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #2CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3352.1Standard polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #3CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3741.1Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #3CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3576.2Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #3CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3534.3Standard polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #4CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3887.0Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #4CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3576.2Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #4CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3414.3Standard polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #5CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3836.4Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #5CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3581.9Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #5CC(C)(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3516.5Standard polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #6CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3836.7Semi standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #6CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3571.6Standard non polar33892256
D-Pantothenoyl-L-cysteine,5TBDMS,isomer #6CC(C)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N([C@@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3475.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - D-Pantothenoyl-L-cysteine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0uk9-6931000000-1ff79a87bb5d68b86a7a2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Pantothenoyl-L-cysteine GC-MS (3 TMS) - 70eV, Positivesplash10-00di-6934240000-a68d9ecdade43ddbdff82017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Pantothenoyl-L-cysteine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Pantothenoyl-L-cysteine 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 - D-Pantothenoyl-L-cysteine 10V, Positive-QTOFsplash10-05fr-1937000000-554b650bf87d2950daa82015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 20V, Positive-QTOFsplash10-0kou-4911000000-0af94c33dbb350edcea62015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 40V, Positive-QTOFsplash10-00di-8900000000-a36735225b47636cd7cb2015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 10V, Negative-QTOFsplash10-00di-3598000000-29c450146ff75faa2aa02015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 20V, Negative-QTOFsplash10-0ab9-6971000000-b4be5af001097dfff94c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 40V, Negative-QTOFsplash10-00di-9600000000-8ecde22009211664336f2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 10V, Positive-QTOFsplash10-00di-0109000000-441198db040b055e9e102021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 20V, Positive-QTOFsplash10-0596-1912000000-b32a056115d8990b657f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 40V, Positive-QTOFsplash10-00di-6900000000-36870cbd66ac4adfa84e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 10V, Negative-QTOFsplash10-00di-0409000000-b7fbc6f7034121ae20732021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 20V, Negative-QTOFsplash10-00dl-4944000000-fd8a4fcca6cc1be298052021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Pantothenoyl-L-cysteine 40V, Negative-QTOFsplash10-01wf-9500000000-157bcba6f56ab54bc08e2021-09-22Wishart 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 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 IDFDB024110
KNApSAcK IDNot Available
Chemspider ID389202
KEGG Compound IDC04079
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440217
PDB IDNot Available
ChEBI ID18416
Food Biomarker OntologyNot Available
VMH IDHC01231
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in pantothenate kinase activity
Specific function:
Plays a role in the physiological regulation of the intracellular CoA concentration (By similarity).
Gene Name:
PANK4
Uniprot ID:
Q9NVE7
Molecular weight:
85990.12
Reactions
Adenosine triphosphate + D-Pantothenoyl-L-cysteine → ADP + 4'-Phosphopantothenoylcysteinedetails
General function:
Involved in pantothenate kinase activity
Specific function:
May be the master regulator of the CoA biosynthesis (By similarity).
Gene Name:
PANK2
Uniprot ID:
Q9BZ23
Molecular weight:
30753.12
Reactions
Adenosine triphosphate + D-Pantothenoyl-L-cysteine → ADP + 4'-Phosphopantothenoylcysteinedetails
General function:
Involved in pantothenate kinase activity
Specific function:
Plays a role in the physiological regulation of the intracellular CoA concentration (By similarity).
Gene Name:
PANK1
Uniprot ID:
Q8TE04
Molecular weight:
35578.965
Reactions
Adenosine triphosphate + D-Pantothenoyl-L-cysteine → ADP + 4'-Phosphopantothenoylcysteinedetails
General function:
Involved in pantothenate kinase activity
Specific function:
Plays a role in the physiological regulation of the intracellular CoA concentration (By similarity).
Gene Name:
PANK3
Uniprot ID:
Q9H999
Molecular weight:
41093.695
Reactions
Adenosine triphosphate + D-Pantothenoyl-L-cysteine → ADP + 4'-Phosphopantothenoylcysteinedetails