Hmdb loader

Showing metabocard for O-Phosphohomoserine (HMDB0003484)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-12 21:50:34 UTC
Update Date2023-02-21 17:16:42 UTC
HMDB IDHMDB0003484
Secondary Accession Numbers
  • HMDB0006495
  • HMDB03484
  • HMDB06495
Metabolite Identification
Common NameO-Phosphohomoserine
DescriptionO-Phosphohomoserine, also known as homoserine phosphate, 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-Phosphohomoserine exists in all living species, ranging from bacteria to plants to humans. O-Phosphohomoserine has been detected, but not quantified in, several different foods, such as cape gooseberries (Physalis peruviana), green cabbages (Brassica oleracea var. sabauda L.), white bread, beech nuts (Fagus), and jerusalem artichokes (Helianthus tuberosus). This could make O-phosphohomoserine a potential biomarker for the consumption of these foods. O-Phosphohomoserine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on O-Phosphohomoserine.
Structure
Data?1676999802
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0003484 (O-Phosphohomoserine)


  Mrv1652309042000292D          

 12 11  0  0  1  0            999 V2000
   22.6899  -10.1774    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   23.4044   -9.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2774   -9.4629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9754  -10.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9768  -10.1774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1024  -10.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2623   -8.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5479  -11.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.5479  -10.1774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.1189  -10.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8333   -9.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2623   -9.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  2 10  1  0  0  0  0
  5 12  1  0  0  0  0
  7 12  2  0  0  0  0
  9  8  1  1  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0003484 (O-Phosphohomoserine)

HMDB0003484
     RDKit          3D
O-Phosphohomoserine
 22 21  0  0  0  0  0  0  0  0999 V2000
   -2.7857    1.7584    0.0243 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8534    0.6299   -0.1309 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4747    1.1539    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    0.0553   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480    0.5538    0.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735   -0.7996   -0.0644 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.4409   -1.8567    0.9191 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412   -0.3338    0.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8145   -1.3587   -1.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563   -0.4104    0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1491   -0.1801    1.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016   -1.6666    0.8414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.6104   -0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726    1.4886   -0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188    0.2648   -1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3879    1.6825    1.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670    1.9487   -0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518   -0.7726    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282   -0.3693   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4785    0.3630    0.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9249   -2.3404   -1.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1781   -2.4213    0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  2 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  6
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  8 20  1  0
  9 21  1  0
 12 22  1  0
M  END
Download

3D SDF for HMDB0003484 (O-Phosphohomoserine)


  Mrv1652309042000292D          

 12 11  0  0  1  0            999 V2000
   22.6899  -10.1774    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   23.4044   -9.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2774   -9.4629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9754  -10.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9768  -10.1774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1024  -10.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2623   -8.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5479  -11.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.5479  -10.1774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.1189  -10.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8333   -9.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2623   -9.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  2 10  1  0  0  0  0
  5 12  1  0  0  0  0
  7 12  2  0  0  0  0
  9  8  1  1  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003484

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCOP(O)(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1

> <INCHI_KEY>
FXDNYOANAXWZHG-VKHMYHEASA-N

> <FORMULA>
C4H10NO6P

> <MOLECULAR_WEIGHT>
199.0991

> <EXACT_MASS>
199.024573569

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.862376851424528

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-4-(phosphonooxy)butanoic acid

> <ALOGPS_LOGP>
-2.34

> <JCHEM_LOGP>
-3.160008943226651

> <ALOGPS_LOGS>
-1.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.279284969740528

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5192579618572903

> <JCHEM_PKA_STRONGEST_BASIC>
9.460891275706492

> <JCHEM_POLAR_SURFACE_AREA>
130.08

> <JCHEM_REFRACTIVITY>
37.779300000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.81e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
O-phosphohomoserine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0003484 (O-Phosphohomoserine)

HMDB0003484
     RDKit          3D
O-Phosphohomoserine
 22 21  0  0  0  0  0  0  0  0999 V2000
   -2.7857    1.7584    0.0243 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8534    0.6299   -0.1309 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4747    1.1539    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    0.0553   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480    0.5538    0.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735   -0.7996   -0.0644 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.4409   -1.8567    0.9191 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412   -0.3338    0.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8145   -1.3587   -1.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563   -0.4104    0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1491   -0.1801    1.6960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7016   -1.6666    0.8414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.6104   -0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726    1.4886   -0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188    0.2648   -1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3879    1.6825    1.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670    1.9487   -0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518   -0.7726    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282   -0.3693   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4785    0.3630    0.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9249   -2.3404   -1.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1781   -2.4213    0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  2 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  6
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  8 20  1  0
  9 21  1  0
 12 22  1  0
M  END
Download

PDB for HMDB0003484 (O-Phosphohomoserine)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  P   UNK     0      42.354 -18.998   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      43.688 -18.228   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      41.584 -17.664   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      41.021 -19.768   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      50.357 -18.998   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      43.124 -20.331   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      49.023 -16.688   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      47.689 -20.538   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      47.689 -18.998   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      45.022 -18.998   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      46.355 -18.228   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      49.023 -18.228   0.000  0.00  0.00           C+0
CONECT    1    2    3    4    6                                             
CONECT    2    1   10                                                       
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5   12                                                            
CONECT    6    1                                                            
CONECT    7   12                                                            
CONECT    8    9                                                            
CONECT    9    8   11   12                                                  
CONECT   10    2   11                                                       
CONECT   11    9   10                                                       
CONECT   12    5    7    9                                                  
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
Download

3D PDB for HMDB0003484 (O-Phosphohomoserine)

COMPND    HMDB0003484
HETATM    1  N1  UNL     1      -2.786   1.758   0.024  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.853   0.630  -0.131  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.475   1.154   0.096  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.539   0.055  -0.055  1.00  0.00           C  
HETATM    5  O1  UNL     1       1.848   0.554   0.137  1.00  0.00           O  
HETATM    6  P1  UNL     1       2.874  -0.800  -0.064  1.00  0.00           P  
HETATM    7  O2  UNL     1       2.441  -1.857   0.919  1.00  0.00           O  
HETATM    8  O3  UNL     1       4.441  -0.334   0.283  1.00  0.00           O  
HETATM    9  O4  UNL     1       2.815  -1.359  -1.652  1.00  0.00           O  
HETATM   10  C4  UNL     1      -2.256  -0.410   0.830  1.00  0.00           C  
HETATM   11  O5  UNL     1      -3.149  -0.180   1.696  1.00  0.00           O  
HETATM   12  O6  UNL     1      -1.702  -1.667   0.841  1.00  0.00           O  
HETATM   13  H1  UNL     1      -2.396   2.610  -0.405  1.00  0.00           H  
HETATM   14  H2  UNL     1      -3.673   1.489  -0.461  1.00  0.00           H  
HETATM   15  H3  UNL     1      -2.019   0.265  -1.163  1.00  0.00           H  
HETATM   16  H4  UNL     1      -0.388   1.683   1.067  1.00  0.00           H  
HETATM   17  H5  UNL     1      -0.267   1.949  -0.677  1.00  0.00           H  
HETATM   18  H6  UNL     1       0.352  -0.773   0.663  1.00  0.00           H  
HETATM   19  H7  UNL     1       0.428  -0.369  -1.073  1.00  0.00           H  
HETATM   20  H8  UNL     1       4.479   0.363   0.959  1.00  0.00           H  
HETATM   21  H9  UNL     1       2.925  -2.340  -1.684  1.00  0.00           H  
HETATM   22  H10 UNL     1      -2.178  -2.421   0.350  1.00  0.00           H  
CONECT    1    2   13   14
CONECT    2    3   10   15
CONECT    3    4   16   17
CONECT    4    5   18   19
CONECT    5    6
CONECT    6    7    7    8    9
CONECT    8   20
CONECT    9   21
CONECT   10   11   11   12
CONECT   12   22
END
Download

SMILES for HMDB0003484 (O-Phosphohomoserine)

N[C@@H](CCOP(O)(O)=O)C(O)=O
Download

INCHI for HMDB0003484 (O-Phosphohomoserine)

InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Homoserine phosphateChEBI
L-Homoserine, dihydrogen phosphate (ester)ChEBI
Homoserine phosphoric acidGenerator
L-Homoserine, dihydrogen phosphoric acid (ester)Generator
2-amino-4-Hydroxy-butyric acid phosphateHMDB
L-2-amino-4-Hydroxy-butyric acid dihydrogen phosphate (ester)HMDB
O-phospho-HomoserineHMDB
O-phospho-L-HomoserineHMDB
O-Phosphohomoserine, (DL)-isomerMeSH, HMDB
Chemical FormulaC4H10NO6P
Average Molecular Weight199.0991
Monoisotopic Molecular Weight199.024573569
IUPAC Name(2S)-2-amino-4-(phosphonooxy)butanoic acid
Traditional NameO-phosphohomoserine
CAS Registry Number4210-66-6
SMILES
N[C@@H](CCOP(O)(O)=O)C(O)=O
InChI Identifier
InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
InChI KeyFXDNYOANAXWZHG-VKHMYHEASA-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
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Amine
  • Hydrocarbon derivative
  • Primary amine
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Route of exposureSource
Process
Naturally occurring process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-3.82Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility18.1 g/LALOGPS
logP-2.3ALOGPS
logP-3.2ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)1.52ChemAxon
pKa (Strongest Basic)9.46ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area130.08 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.78 m³·mol⁻¹ChemAxon
Polarizability15.86 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]+143.33831661259
DarkChem[M-H]-138.12631661259
DeepCCS[M+H]+132.77730932474
DeepCCS[M-H]-129.30730932474
DeepCCS[M-2H]-166.69730932474
DeepCCS[M+Na]+142.23130932474
AllCCS[M+H]+142.932859911
AllCCS[M+H-H2O]+139.232859911
AllCCS[M+NH4]+146.332859911
AllCCS[M+Na]+147.332859911
AllCCS[M-H]-134.932859911
AllCCS[M+Na-2H]-136.432859911
AllCCS[M+HCOO]-138.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
O-PhosphohomoserineN[C@@H](CCOP(O)(O)=O)C(O)=O2490.1Standard polar33892256
O-PhosphohomoserineN[C@@H](CCOP(O)(O)=O)C(O)=O1643.6Standard non polar33892256
O-PhosphohomoserineN[C@@H](CCOP(O)(O)=O)C(O)=O2001.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
O-Phosphohomoserine,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O)O1841.2Semi standard non polar33892256
O-Phosphohomoserine,1TMS,isomer #2C[Si](C)(C)OP(=O)(O)OCC[C@H](N)C(=O)O1889.7Semi standard non polar33892256
O-Phosphohomoserine,1TMS,isomer #3C[Si](C)(C)N[C@@H](CCOP(=O)(O)O)C(=O)O1924.6Semi standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O)O[Si](C)(C)C1862.8Semi standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O)O[Si](C)(C)C1852.5Standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O)O[Si](C)(C)C2910.8Standard polar33892256
O-Phosphohomoserine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCOP(=O)(O)O)C(=O)O[Si](C)(C)C1891.0Semi standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCOP(=O)(O)O)C(=O)O[Si](C)(C)C1874.8Standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCOP(=O)(O)O)C(=O)O[Si](C)(C)C3016.8Standard polar33892256
O-Phosphohomoserine,2TMS,isomer #3C[Si](C)(C)OP(=O)(OCC[C@H](N)C(=O)O)O[Si](C)(C)C1911.2Semi standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #3C[Si](C)(C)OP(=O)(OCC[C@H](N)C(=O)O)O[Si](C)(C)C1823.4Standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #3C[Si](C)(C)OP(=O)(OCC[C@H](N)C(=O)O)O[Si](C)(C)C2953.7Standard polar33892256
O-Phosphohomoserine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C)C(=O)O1957.3Semi standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C)C(=O)O1864.7Standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C)C(=O)O2755.9Standard polar33892256
O-Phosphohomoserine,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCOP(=O)(O)O)C(=O)O)[Si](C)(C)C2039.9Semi standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCOP(=O)(O)O)C(=O)O)[Si](C)(C)C1958.9Standard non polar33892256
O-Phosphohomoserine,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCOP(=O)(O)O)C(=O)O)[Si](C)(C)C3159.1Standard polar33892256
O-Phosphohomoserine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1894.8Semi standard non polar33892256
O-Phosphohomoserine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1933.0Standard non polar33892256
O-Phosphohomoserine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2587.5Standard polar33892256
O-Phosphohomoserine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1949.3Semi standard non polar33892256
O-Phosphohomoserine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1948.3Standard non polar33892256
O-Phosphohomoserine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2465.8Standard polar33892256
O-Phosphohomoserine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2046.2Semi standard non polar33892256
O-Phosphohomoserine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2032.9Standard non polar33892256
O-Phosphohomoserine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2790.9Standard polar33892256
O-Phosphohomoserine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1999.6Semi standard non polar33892256
O-Phosphohomoserine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1954.6Standard non polar33892256
O-Phosphohomoserine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2335.4Standard polar33892256
O-Phosphohomoserine,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2066.1Semi standard non polar33892256
O-Phosphohomoserine,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2001.7Standard non polar33892256
O-Phosphohomoserine,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2564.2Standard polar33892256
O-Phosphohomoserine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1996.0Semi standard non polar33892256
O-Phosphohomoserine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2022.3Standard non polar33892256
O-Phosphohomoserine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2144.8Standard polar33892256
O-Phosphohomoserine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2064.9Semi standard non polar33892256
O-Phosphohomoserine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2065.3Standard non polar33892256
O-Phosphohomoserine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2353.1Standard polar33892256
O-Phosphohomoserine,4TMS,isomer #3C[Si](C)(C)OP(=O)(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2087.9Semi standard non polar33892256
O-Phosphohomoserine,4TMS,isomer #3C[Si](C)(C)OP(=O)(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2074.8Standard non polar33892256
O-Phosphohomoserine,4TMS,isomer #3C[Si](C)(C)OP(=O)(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2233.2Standard polar33892256
O-Phosphohomoserine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2107.8Semi standard non polar33892256
O-Phosphohomoserine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2104.2Standard non polar33892256
O-Phosphohomoserine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2127.4Standard polar33892256
O-Phosphohomoserine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O)O2088.5Semi standard non polar33892256
O-Phosphohomoserine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OCC[C@H](N)C(=O)O2115.9Semi standard non polar33892256
O-Phosphohomoserine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O)O)C(=O)O2151.1Semi standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O)O[Si](C)(C)C(C)(C)C2280.9Semi standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O)O[Si](C)(C)C(C)(C)C2293.8Standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O)O[Si](C)(C)C(C)(C)C3021.2Standard polar33892256
O-Phosphohomoserine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C2319.1Semi standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C2312.0Standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C3071.6Standard polar33892256
O-Phosphohomoserine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C2330.0Semi standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C2264.4Standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C3012.4Standard polar33892256
O-Phosphohomoserine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O2372.0Semi standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O2310.9Standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O2866.4Standard polar33892256
O-Phosphohomoserine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCOP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C2477.2Semi standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCOP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C2370.4Standard non polar33892256
O-Phosphohomoserine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCOP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C3127.5Standard polar33892256
O-Phosphohomoserine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2519.4Semi standard non polar33892256
O-Phosphohomoserine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2471.6Standard non polar33892256
O-Phosphohomoserine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCOP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2765.7Standard polar33892256
O-Phosphohomoserine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2559.1Semi standard non polar33892256
O-Phosphohomoserine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2530.5Standard non polar33892256
O-Phosphohomoserine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2715.2Standard polar33892256
O-Phosphohomoserine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2685.5Semi standard non polar33892256
O-Phosphohomoserine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2618.2Standard non polar33892256
O-Phosphohomoserine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2930.8Standard polar33892256
O-Phosphohomoserine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2618.1Semi standard non polar33892256
O-Phosphohomoserine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2505.8Standard non polar33892256
O-Phosphohomoserine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2623.6Standard polar33892256
O-Phosphohomoserine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2704.8Semi standard non polar33892256
O-Phosphohomoserine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2589.4Standard non polar33892256
O-Phosphohomoserine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2773.7Standard polar33892256
O-Phosphohomoserine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2793.7Semi standard non polar33892256
O-Phosphohomoserine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2667.6Standard non polar33892256
O-Phosphohomoserine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCOP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2563.6Standard polar33892256
O-Phosphohomoserine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2930.2Semi standard non polar33892256
O-Phosphohomoserine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2778.6Standard non polar33892256
O-Phosphohomoserine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCOP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2680.0Standard polar33892256
O-Phosphohomoserine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC[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)C2953.2Semi standard non polar33892256
O-Phosphohomoserine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC[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)C2730.9Standard non polar33892256
O-Phosphohomoserine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OCC[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)C2592.4Standard polar33892256
O-Phosphohomoserine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCOP(=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)C3149.0Semi standard non polar33892256
O-Phosphohomoserine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCOP(=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)C2889.4Standard non polar33892256
O-Phosphohomoserine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCOP(=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)C2598.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - O-Phosphohomoserine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9300000000-32eaea5dd0559c46626e2016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - O-Phosphohomoserine GC-MS (1 TMS) - 70eV, Positivesplash10-00dj-9740000000-c08eab2934811bd8ba172017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - O-Phosphohomoserine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - O-Phosphohomoserine 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-Phosphohomoserine 10V, Positive-QTOFsplash10-0udi-2920000000-4ad8858fcdd6c72351812015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 20V, Positive-QTOFsplash10-0pb9-9400000000-0f8e18482c6cb4d656402015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 40V, Positive-QTOFsplash10-0a4i-9100000000-5e53d50c26289d23a51d2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 10V, Negative-QTOFsplash10-0002-6900000000-7771f160a034ddf9f1b52015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 20V, Negative-QTOFsplash10-004i-9100000000-8d6f322a6a23b88228962015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 40V, Negative-QTOFsplash10-004i-9000000000-a90f429c8931d6b689152015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 10V, Negative-QTOFsplash10-0002-9000000000-94d81f86136a653c973b2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 20V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 40V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 10V, Positive-QTOFsplash10-0a4i-9300000000-ba13bc26408fc381d7062021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 20V, Positive-QTOFsplash10-0a4i-9000000000-1371bda97f3f9586cda82021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphohomoserine 40V, Positive-QTOFsplash10-0a4i-9000000000-2f91689a76e6cee9ff4d2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023182
KNApSAcK IDC00007385
Chemspider ID133252
KEGG Compound IDC01102
BioCyc IDO-PHOSPHO-L-HOMOSERINE
BiGG ID36811
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound151187
PDB IDNot Available
ChEBI ID15961
Food Biomarker OntologyNot Available
VMH IDPHOM
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Connick JH, Heywood GC, Smith DA, Stone TW: O-phosphohomoserine, a naturally occurring analogue of phosphonate amino acid antagonists, is an N-methyl-D-aspartate (NMDA) antagonist in rat hippocampus. Neurosci Lett. 1986 Jul 24;68(2):249-51. [PubMed:3528930 ]
  2. Donini S, Percudani R, Credali A, Montanini B, Sartori A, Peracchi A: A threonine synthase homolog from a mammalian genome. Biochem Biophys Res Commun. 2006 Dec 1;350(4):922-8. Epub 2006 Sep 29. [PubMed:17034760 ]
  3. Sun G, Yang K, Zhao Z, Guan S, Han X, Gross RW: Shotgun metabolomics approach for the analysis of negatively charged water-soluble cellular metabolites from mouse heart tissue. Anal Chem. 2007 Sep 1;79(17):6629-40. Epub 2007 Aug 1. [PubMed:17665876 ]