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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-08-12 13:15:45 UTC
Update Date2021-09-14 15:39:04 UTC
HMDB IDHMDB0006802
Secondary Accession Numbers
  • HMDB06802
Metabolite Identification
Common NameO-Phospho-4-hydroxy-L-threonine
DescriptionO-Phospho-4-hydroxy-L-threonine, also known as 4-(phosphonooxy)-threonine, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. O-Phospho-4-hydroxy-L-threonine is a very strong basic compound (based on its pKa). O-Phospho-4-hydroxy-L-threonine exists in all living species, ranging from bacteria to humans.
Structure
Data?1582752406
Synonyms
ValueSource
4-(Phosphonooxy)-threonineChEBI
4-(Phosphonooxy)-L-threonineKegg
4-Phosphooxy-L-threonineKegg
4-Phosphonooxy-L-threonineHMDB
4-Phospho-hydroxy-threonineHMDB
4-(Phosphohydroxy)-L-threonineHMDB
4-PhosphohydroxythreonineHMDB
4-PhosphothreonineHMDB
Chemical FormulaC4H10NO7P
Average Molecular Weight215.0985
Monoisotopic Molecular Weight215.019488191
IUPAC Name(2S,3S)-2-amino-3-hydroxy-4-(phosphonooxy)butanoic acid
Traditional Name4-(phosphonooxy)-L-threonine
CAS Registry NumberNot Available
SMILES
N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O
InChI Identifier
InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1
InChI KeyFKHAKIJOKDGEII-GBXIJSLDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Beta-hydroxy acid
  • Short-chain hydroxy acid
  • Monoalkyl phosphate
  • Hydroxy acid
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acid
  • Amino acid
  • Secondary alcohol
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary amine
  • Primary aliphatic amine
  • Alcohol
  • Organic oxygen compound
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
Process
Role
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 Solubility22.7 g/LALOGPS
logP-2.4ALOGPS
logP-3.9ChemAxon
logS-0.98ALOGPS
pKa (Strongest Acidic)1.31ChemAxon
pKa (Strongest Basic)8.93ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area150.31 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity38.88 m³·mol⁻¹ChemAxon
Polarizability16.6 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+145.74731661259
DarkChem[M-H]-140.1931661259
DeepCCS[M+H]+140.16830932474
DeepCCS[M-H]-137.77330932474
DeepCCS[M-2H]-171.29630932474
DeepCCS[M+Na]+146.08130932474
AllCCS[M+H]+146.332859911
AllCCS[M+H-H2O]+142.732859911
AllCCS[M+NH4]+149.632859911
AllCCS[M+Na]+150.532859911
AllCCS[M-H]-136.532859911
AllCCS[M+Na-2H]-137.732859911
AllCCS[M+HCOO]-139.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
O-Phospho-4-hydroxy-L-threonineN[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O2563.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonineN[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O1768.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonineN[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O2207.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
O-Phospho-4-hydroxy-L-threonine,1TMS,isomer #1C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@H](N)C(=O)O1906.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O)O1892.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@H](N)C(=O)O1956.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O)O1978.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O)O[Si](C)(C)C1899.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #2C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](N)C(=O)O1945.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #3C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C1954.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O)O[Si](C)(C)C1946.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #5C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O)O1950.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #6C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@H](N)C(=O)O)O[Si](C)(C)C1975.5Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #7C[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O)O[Si](C)(C)C2023.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #8C[Si](C)(C)N([C@H](C(=O)O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C2042.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C1967.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2005.4Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2968.4Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2119.5Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2071.4Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2729.4Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C1962.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2044.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2979.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](N)C(=O)O1994.6Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](N)C(=O)O2007.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](N)C(=O)O2961.7Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2029.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2015.4Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2767.9Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2079.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2130.0Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3030.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1978.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2040.3Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2914.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #7C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2024.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #7C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2025.7Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #7C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2718.5Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2054.9Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2141.4Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2997.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #9C[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2071.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #9C[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2020.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #9C[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2551.9Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2019.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2051.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2704.8Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2034.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2059.8Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2518.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2100.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2190.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2759.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2089.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2074.0Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2408.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2138.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2144.0Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2591.1Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #6C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2084.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #6C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2082.1Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #6C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2373.4Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2125.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2144.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2563.9Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #8C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2156.9Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #8C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2143.1Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #8C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2405.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #1C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2092.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #1C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2106.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #1C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2259.8Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2147.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2162.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2432.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2148.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2184.7Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2317.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2160.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2180.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2308.4Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2174.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2202.5Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2246.8Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@H](N)C(=O)O2154.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O)O2150.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@H](N)C(=O)O2192.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O)O2211.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2348.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)O2377.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2361.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2380.6Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O2378.6Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C2420.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2443.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N([C@H](C(=O)O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C2524.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2604.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2598.5Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3111.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2784.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2670.7Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2939.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2582.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2636.8Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3128.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)O2628.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)O2557.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)O3101.8Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2639.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2589.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2969.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2724.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2716.8Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3153.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2607.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2601.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3073.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2649.5Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2610.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2932.1Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2722.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2724.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3129.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2696.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2565.5Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2813.1Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2825.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2723.1Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2948.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2849.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2759.4Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2851.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2933.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2910.8Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2984.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2891.9Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2715.7Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2768.8Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2997.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2847.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2863.9Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2881.6Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2738.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2753.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2981.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2866.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2852.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3032.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2814.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2747.9Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3087.9Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2887.7Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2750.7Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3198.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3018.8Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2830.7Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3234.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2966.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2749.4Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3205.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2984.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2753.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3412.9Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3152.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2805.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - O-Phospho-4-hydroxy-L-threonine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9200000000-a8f91387710592709ff82016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - O-Phospho-4-hydroxy-L-threonine GC-MS (2 TMS) - 70eV, Positivesplash10-01ow-9711000000-89a880807057686a60b12017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - O-Phospho-4-hydroxy-L-threonine 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 - O-Phospho-4-hydroxy-L-threonine 10V, Positive-QTOFsplash10-00r2-2920000000-c23edaafe01dd32ccd6a2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 20V, Positive-QTOFsplash10-00di-9600000000-fd8c6ec273c259b6d6932015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 40V, Positive-QTOFsplash10-00di-9300000000-42e18773c2868e50da832015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 10V, Negative-QTOFsplash10-03mj-9850000000-0cd651cd24395dbae4a12015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 20V, Negative-QTOFsplash10-004i-9100000000-a925d7c6b56522b6d34b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 40V, Negative-QTOFsplash10-004i-9000000000-5c41cf86b2bcca5178682015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 10V, Positive-QTOFsplash10-014i-2590000000-a9146bba129194b49abb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 20V, Positive-QTOFsplash10-00di-9200000000-e8dbc889a8d9573cd3962021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 40V, Positive-QTOFsplash10-001j-9000000000-9eec4757ad69989237c02021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 10V, Negative-QTOFsplash10-01ta-9030000000-a684f48886db0724b48e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 20V, Negative-QTOFsplash10-004i-9000000000-177256aadc387d9ad2362021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 40V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-24Wishart 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 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 IDDB02609
Phenol Explorer Compound IDNot Available
FooDB IDFDB024088
KNApSAcK IDNot Available
Chemspider ID389731
KEGG Compound IDC06055
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440901
PDB IDNot Available
ChEBI ID18336
Food Biomarker OntologyNot Available
VMH IDPHTHR
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 metabolic process
Specific function:
Catalyzes the reversible conversion of 3-phosphohydroxypyruvate to phosphoserine and of 3-hydroxy-2-oxo-4-phosphonooxybutanoate to phosphohydroxythreonine (By similarity).
Gene Name:
PSAT1
Uniprot ID:
Q9Y617
Molecular weight:
35188.305
Reactions
O-Phospho-4-hydroxy-L-threonine + Oxoglutaric acid → 2-Oxo-3-hydroxy-4-phosphobutanoic acid + L-Glutamic aciddetails