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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 14:57:09 UTC
HMDB IDHMDB0001416
Secondary Accession Numbers
  • HMDB01416
Metabolite Identification
Common NamePantetheine 4'-phosphate
DescriptionPantetheine 4'-phosphate, or 4'-phosphopantetheine, is a metabolite in the pantothenate and coenzyme A biosynthesis pathway. It can be generated from Pantatheine (via pantothenate kinase 1) or R-4'-Phospho-pantothenoyl-L-cysteine (via phosphopantothenoylcysteine decarboxylase) or Dephospho-CoA (via 4'-phosphopantetheine adenylyl-transferase and ectonucleotide pyrophosphatase). In most mammals, coenzyme A can be hydrolyzed to pantetheine and pantothenate in the intestinal lumen via the following series of reactions: coenzyme A leads to phosphopantetheine leads to pantetheine leads to pantothenate. The conversion of 4'-phosphopantetheine (4'-PP) to dephospho-CoA, is catalyzed by 4'-phosphopantetheine adenylyl-transferase. In mammalian systems, this step may occur in the mitochondria or in the cytosol. (PMID: 1746161 ) It has been identified as an essential cofactor in in the biosynthesis of fatty acids, polyketides, depsipeptides, peptides, and compounds derived from both carboxylic and amino acid precursors. In particular it is a key prosthetic group of acyl carrier protein (ACP) and peptidyl carrier proteins (PCP) and aryl carrier proteins (ArCP) derived from Coenzyme A. Phosphopantetheine fulfils two demands. Firstly, the intermediates remain covalently linked to the synthases (or synthetases) in an energy-rich thiol ester linkage. Secondly, the flexibility and length of phosphopantetheine chain (approximately 2 nm) allows the covalently tethered intermediates to have access to spatially distinct enzyme active sites.
Structure
Data?1595343869
Synonyms
ValueSource
(2R)-2-Hydroxy-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethyl-4-(phosphonooxy)butanamideChEBI
O(4)-Phosphono-D-pantetheinChEBI
Pantetheine-4'-phosphateChEBI
PhosphopantetheineChEBI
PSH-4'-pChEBI
D-Pantetheine 4'-phosphateKegg
Pantetheine-4'-phosphoric acidGenerator
D-Pantetheine 4'-phosphoric acidGenerator
4'-PhosphopantetheineChEBI
Pantetheine 4'-phosphoric acidGenerator
(2R)-2-Hydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-4-(phosphonooxy)butanamideHMDB
4’-PhosphopantetheineHMDB
D-Pantetheine 4’-phosphateHMDB
Pantetheine 4'-phosphateHMDB
Pantetheine 4’-phosphateHMDB
Pantetheine phosphateHMDB
Chemical FormulaC11H23N2O7PS
Average Molecular Weight358.348
Monoisotopic Molecular Weight358.096358302
IUPAC Name[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphonic acid
Traditional Name4'-phosphopantetheine
CAS Registry Number2226-71-3
SMILES
CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS
InChI Identifier
InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
InChI KeyJDMUPRLRUUMCTL-VIFPVBQESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentBeta amino acids and derivatives
Alternative Parents
Substituents
  • Beta amino acid or derivatives
  • Monoalkyl phosphate
  • Fatty amide
  • Monosaccharide
  • N-acyl-amine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acyl
  • Secondary alcohol
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Alkylthiol
  • Carbonyl group
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
RoleNot Available
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 Solubility0.38 g/LALOGPS
logP-0.71ALOGPS
logP-1.7ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)1.79ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area145.19 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity81.58 m³·mol⁻¹ChemAxon
Polarizability34.34 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
DeepCCS[M+H]+168.62630932474
DeepCCS[M-H]-166.26830932474
DeepCCS[M-2H]-199.94730932474
DeepCCS[M+Na]+175.17530932474
AllCCS[M+H]+177.032859911
AllCCS[M+H-H2O]+174.732859911
AllCCS[M+NH4]+179.132859911
AllCCS[M+Na]+179.832859911
AllCCS[M-H]-175.932859911
AllCCS[M+Na-2H]-176.932859911
AllCCS[M+HCOO]-178.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Pantetheine 4'-phosphateCC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS3802.2Standard polar33892256
Pantetheine 4'-phosphateCC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS2549.0Standard non polar33892256
Pantetheine 4'-phosphateCC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS3134.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Pantetheine 4'-phosphate,1TMS,isomer #1CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS2932.0Semi standard non polar33892256
Pantetheine 4'-phosphate,1TMS,isomer #2CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS3032.6Semi standard non polar33892256
Pantetheine 4'-phosphate,1TMS,isomer #3CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C2998.2Semi standard non polar33892256
Pantetheine 4'-phosphate,1TMS,isomer #4CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2929.3Semi standard non polar33892256
Pantetheine 4'-phosphate,1TMS,isomer #5CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2946.4Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #1CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS2950.5Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #1CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS2674.7Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #1CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS3619.3Standard polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #10CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C3025.8Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #10CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C3036.5Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #10CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C4474.9Standard polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #11CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2893.1Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #11CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2835.9Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #11CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C3928.6Standard polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #2CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C2932.9Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #2CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C2898.3Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #2CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C4312.3Standard polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #3CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2896.7Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #3CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2719.9Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #3CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C3830.1Standard polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #4CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2871.2Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #4CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2741.7Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #4CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C3817.3Standard polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #5CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS3040.9Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #5CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS2730.7Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #5CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS3575.8Standard polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C3047.8Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C2920.5Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C4104.0Standard polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #7CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2943.1Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #7CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2733.2Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #7CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C3718.6Standard polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #8CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2980.1Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #8CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2758.2Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #8CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C3712.1Standard polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #9CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2969.3Semi standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #9CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C3016.4Standard non polar33892256
Pantetheine 4'-phosphate,2TMS,isomer #9CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C4435.4Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS2962.4Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS2753.3Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS3365.3Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2975.4Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2826.9Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C3444.1Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2986.9Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2954.0Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C3876.4Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #12CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C3049.9Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #12CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C2974.9Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #12CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C3903.9Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #13CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2916.3Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #13CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2854.3Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #13CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C3566.9Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #14CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2977.2Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #14CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3105.8Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #14CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4173.1Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #2CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C2985.2Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #2CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C2879.5Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #2CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C3701.4Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #3CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2887.8Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #3CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2767.6Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #3CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C3482.7Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2897.8Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2792.8Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C3474.0Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #5CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2934.6Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #5CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2978.4Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #5CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C3973.5Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #6CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C2940.1Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #6CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C2988.7Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #6CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C3996.7Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2871.5Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2862.0Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C3621.0Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C3068.3Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C2943.4Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C3627.7Standard polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2926.4Semi standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2800.5Standard non polar33892256
Pantetheine 4'-phosphate,3TMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C3452.8Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C3011.7Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C2899.9Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C3259.5Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2906.4Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2912.3Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C3362.5Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2990.8Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3009.8Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3681.9Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #2CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2859.9Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #2CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C2808.9Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #2CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C3279.6Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #3CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2905.7Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #3CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C2846.4Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #3CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C3271.8Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2947.5Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2927.2Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C3464.1Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #5CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C2982.6Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #5CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C2939.4Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #5CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C3478.0Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2884.5Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2887.7Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C3368.9Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2961.4Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3054.3Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3690.1Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2973.5Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2952.8Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C3452.7Standard polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C3066.0Semi standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C2972.0Standard non polar33892256
Pantetheine 4'-phosphate,4TMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C3468.2Standard polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2955.0Semi standard non polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C2936.8Standard non polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C)[Si](C)(C)C3119.7Standard polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #2CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C3002.1Semi standard non polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #2CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C2955.3Standard non polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #2CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C3127.2Standard polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #3CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2872.1Semi standard non polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #3CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C2926.2Standard non polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #3CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C)[Si](C)(C)C3221.2Standard polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2977.4Semi standard non polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3003.5Standard non polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3302.9Standard polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #5CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3007.1Semi standard non polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #5CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3015.6Standard non polar33892256
Pantetheine 4'-phosphate,5TMS,isomer #5CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3337.4Standard polar33892256
Pantetheine 4'-phosphate,6TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3000.3Semi standard non polar33892256
Pantetheine 4'-phosphate,6TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3010.7Standard non polar33892256
Pantetheine 4'-phosphate,6TMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3044.5Standard polar33892256
Pantetheine 4'-phosphate,1TBDMS,isomer #1CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS3165.3Semi standard non polar33892256
Pantetheine 4'-phosphate,1TBDMS,isomer #2CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS3267.4Semi standard non polar33892256
Pantetheine 4'-phosphate,1TBDMS,isomer #3CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3217.2Semi standard non polar33892256
Pantetheine 4'-phosphate,1TBDMS,isomer #4CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3165.5Semi standard non polar33892256
Pantetheine 4'-phosphate,1TBDMS,isomer #5CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3193.7Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #1CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS3396.8Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #1CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS3068.8Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #1CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS3771.3Standard polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #10CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3490.0Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #10CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3401.9Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #10CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4399.1Standard polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #11CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3377.7Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #11CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3205.6Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #11CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3983.7Standard polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #2CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3373.3Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #2CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3320.1Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #2CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C4257.9Standard polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #3CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3333.0Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #3CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3141.5Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #3CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3913.0Standard polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #4CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3330.4Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #4CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3148.5Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #4CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3893.7Standard polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #5CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS3493.9Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #5CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS3090.4Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #5CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS3742.8Standard polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3516.4Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3305.8Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C4148.0Standard polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #7CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3409.7Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #7CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3111.3Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #7CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3859.3Standard polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #8CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3460.6Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #8CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3115.5Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #8CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3845.0Standard polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #9CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3415.2Semi standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #9CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3396.0Standard non polar33892256
Pantetheine 4'-phosphate,2TBDMS,isomer #9CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4372.1Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS3619.8Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS3254.7Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS3593.9Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3668.3Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3325.8Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3670.2Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3682.4Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3483.6Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3977.4Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #12CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3777.7Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #12CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3494.7Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #12CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3996.9Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #13CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3613.9Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #13CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3376.3Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #13CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3764.2Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #14CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3679.3Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #14CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3601.2Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #14CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4183.1Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #2CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3668.0Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #2CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3421.5Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #2CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3801.9Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #3CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3565.0Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #3CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3314.1Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #3CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3686.7Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3585.6Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3322.7Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3671.9Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #5CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3606.3Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #5CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3518.6Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #5CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3989.1Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #6CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3660.4Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #6CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3523.6Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #6CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4007.5Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3555.9Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3415.2Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3782.2Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3745.9Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3429.6Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3808.3Standard polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3601.0Semi standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3316.7Standard non polar33892256
Pantetheine 4'-phosphate,3TBDMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3685.7Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3881.2Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3505.4Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #1CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)NCCS[Si](C)(C)C(C)(C)C3530.7Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3816.8Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3550.0Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #10CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3678.2Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3908.5Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3663.9Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #11CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3851.9Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #2CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3772.6Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #2CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3464.8Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #2CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS)[Si](C)(C)C(C)(C)C3600.3Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #3CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3803.6Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #3CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3482.6Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #3CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS)[Si](C)(C)C(C)(C)C3587.0Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3857.4Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3588.3Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #4CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3663.1Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #5CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3917.2Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #5CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3592.2Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #5CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3676.0Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3786.5Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3561.4Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #6CC(C)(COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N(CCS)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3672.0Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3876.7Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3705.5Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #7CC(C)(COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N(CCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3823.9Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3872.1Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3574.9Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #8CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)N(CCC(=O)NCCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3701.9Standard polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3974.3Semi standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3581.5Standard non polar33892256
Pantetheine 4'-phosphate,4TBDMS,isomer #9CC(C)(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)NCCC(=O)N(CCS[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3713.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Pantetheine 4'-phosphate 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 - Pantetheine 4'-phosphate 10V, Positive-QTOFsplash10-08ir-7695000000-0ee6ed099c01445060c32015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 20V, Positive-QTOFsplash10-01u0-9540000000-9e756a71b573d020fa6e2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 40V, Positive-QTOFsplash10-03nc-9300000000-d292b023d1133331f5462015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 10V, Negative-QTOFsplash10-054k-9225000000-72a847152c51b3a3daa22015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 20V, Negative-QTOFsplash10-004i-9200000000-f29815698df8b18a410a2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-653db2061d8b7bf264f22015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 10V, Positive-QTOFsplash10-08fr-0198000000-31a4eeaf91d985eb015e2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 20V, Positive-QTOFsplash10-01ot-7894000000-00ac7fb9fa39b755520e2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 40V, Positive-QTOFsplash10-002b-5970000000-1b9585d88704c0e605252021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 10V, Negative-QTOFsplash10-0a4i-0009000000-a4738c795089df64016b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 20V, Negative-QTOFsplash10-0a6r-6019000000-7dc9a9f2905a74e22cf02021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pantetheine 4'-phosphate 40V, Negative-QTOFsplash10-004j-9210000000-ea17c20bd5395348f9db2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
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 IDDB03912
Phenol Explorer Compound IDNot Available
FooDB IDFDB022609
KNApSAcK IDC00007448
Chemspider ID103123
KEGG Compound IDC01134
BioCyc IDPANTETHEINE-P
BiGG IDNot Available
Wikipedia LinkPhosphopantetheine
METLIN IDNot Available
PubChem Compound115254
PDB IDNot Available
ChEBI ID4222
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceMasuda, Toru; Fujii, Shoichiro; Takanohashi, Kunio. Pantetheine 4'-phosphate. Jpn. Tokkyo Koho (1971), 3 pp.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Tahiliani AG, Beinlich CJ: Pantothenic acid in health and disease. Vitam Horm. 1991;46:165-228. [PubMed:1746161 ]

Only showing the first 10 proteins. There are 12 proteins in total.

Enzymes

General function:
Involved in transferase activity
Specific function:
Fatty acid synthetase catalyzes the formation of long-chain fatty acids from acetyl-CoA, malonyl-CoA and NADPH. This multifunctional protein has 7 catalytic activities and an acyl carrier protein.
Gene Name:
FASN
Uniprot ID:
P49327
Molecular weight:
273424.06
General function:
Involved in catalytic activity
Specific function:
Involved primarily in ATP hydrolysis at the plasma membrane. Plays a role in regulating pyrophosphate levels, and functions in bone mineralization and soft tissue calcification. In vitro, has a broad specificity, hydrolyzing other nucleoside 5' triphosphates such as GTP, CTP, TTP and UTP to their corresponding monophosphates with release of pyrophosphate and diadenosine polyphosphates, and also 3',5'-cAMP to AMP. May also be involved in the regulation of the availability of nucleotide sugars in the endoplasmic reticulum and Golgi, and the regulation of purinergic signaling. Appears to modulate insulin sensitivity.
Gene Name:
ENPP1
Uniprot ID:
P22413
Molecular weight:
104923.58
Reactions
Dephospho-CoA + Water → Pantetheine 4'-phosphate + Adenosine monophosphatedetails
General function:
Involved in acyl carrier activity
Specific function:
Carrier of the growing fatty acid chain in fatty acid biosynthesis in mitochondria. Accessory and non-catalytic subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), which functions in the transfer of electrons from NADH to the respiratory chain
Gene Name:
NDUFAB1
Uniprot ID:
O14561
Molecular weight:
17417.1
General function:
Involved in catalytic activity
Specific function:
Cleaves a variety of phosphodiester and phosphosulfate bonds including deoxynucleotides, nucleotide sugars, and NAD (By similarity).
Gene Name:
ENPP3
Uniprot ID:
O14638
Molecular weight:
100123.54
Reactions
Dephospho-CoA + Water → Pantetheine 4'-phosphate + Adenosine monophosphatedetails
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 + Pantetheine → ADP + Pantetheine 4'-phosphatedetails
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 + Pantetheine → ADP + Pantetheine 4'-phosphatedetails
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 + Pantetheine → ADP + Pantetheine 4'-phosphatedetails
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 + Pantetheine → ADP + Pantetheine 4'-phosphatedetails
General function:
Involved in catalytic activity
Specific function:
Bifunctional enzyme that catalyzes the fourth and fifth sequential steps of CoA biosynthetic pathway. The fourth reaction is catalyzed by the phosphopantetheine adenylyltransferase, coded by the coaD domain; the fifth reaction is catalyzed by the dephospho-CoA kinase, coded by the coaE domain. May act as a point of CoA biosynthesis regulation.
Gene Name:
COASY
Uniprot ID:
Q13057
Molecular weight:
62328.245
Reactions
Adenosine triphosphate + Pantetheine 4'-phosphate → Pyrophosphate + Dephospho-CoAdetails
General function:
Involved in catalytic activity
Specific function:
Necessary for the biosynthesis of coenzyme A. Catalyzes the decarboxylation of 4-phosphopantothenoylcysteine to form 4'-phosphopantotheine.
Gene Name:
PPCDC
Uniprot ID:
Q96CD2
Molecular weight:
22394.965
Reactions
N-((R)-4'-phosphopantothenoyl)-L-cysteine → Pantetheine 4'-phosphate + CO(2)details
4'-Phosphopantothenoylcysteine → Pantetheine 4'-phosphate + Carbon dioxidedetails

Only showing the first 10 proteins. There are 12 proteins in total.