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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:46:46 UTC
Update Date2022-03-07 02:53:11 UTC
HMDB IDHMDB0031950
Secondary Accession Numbers
  • HMDB31950
Metabolite Identification
Common NameL-2-Aminoethyl seryl phosphate
DescriptionL-2-Aminoethyl seryl phosphate, also known as serine ethanolamine phosphate, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). L-2-Aminoethyl seryl phosphate has been detected, but not quantified in, fishes. This could make L-2-aminoethyl seryl phosphate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on L-2-Aminoethyl seryl phosphate.
Structure
Data?1563862196
Synonyms
ValueSource
O-[(2-Aminoethoxy)hydroxyphosphinyl]serineChEBI
Serine ethanolamine phosphateChEBI
Serine ethanolamine phosphoric acidGenerator
L-2-Aminoethyl seryl phosphoric acidGenerator
Serine ethanolamine phosphate, (D)-isomerMeSH
Serine ethanolamine phosphodiesterMeSH
2-Aminoethyl seryl phosphateHMDB
L-FormHMDB
L-Serine 3-(2-aminoethyl hydrogen phosphate)HMDB
L-Serine phosphoethanolamineHMDB
L-Serine-phosphoethanolamineHMDB
O-[(2-Aminoethoxy)(hydroxy)phosphoryl]-L-serineHMDB
Serine phosphoethanolamineHMDB
Chemical FormulaC5H13N2O6P
Average Molecular Weight228.1403
Monoisotopic Molecular Weight228.05112267
IUPAC Name2-amino-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propanoic acid
Traditional Nameserine ethanolamine phosphate
CAS Registry Number1186-34-1
SMILES
NCCOP(O)(=O)OCC(N)C(O)=O
InChI Identifier
InChI=1S/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)
InChI KeyUQDJGEHQDNVPGU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Phosphoethanolamine
  • Dialkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Primary amine
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point142 - 143 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility22.6 g/LALOGPS
logP-2.8ALOGPS
logP-8.4ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)1.63ChemAxon
pKa (Strongest Basic)10.09ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area145.1 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity45.35 m³·mol⁻¹ChemAxon
Polarizability19.54 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]+150.93731661259
DarkChem[M-H]-144.87731661259
DeepCCS[M+H]+131.94130932474
DeepCCS[M-H]-128.10830932474
DeepCCS[M-2H]-165.22430932474
DeepCCS[M+Na]+140.77830932474
AllCCS[M+H]+148.232859911
AllCCS[M+H-H2O]+144.832859911
AllCCS[M+NH4]+151.332859911
AllCCS[M+Na]+152.232859911
AllCCS[M-H]-143.832859911
AllCCS[M+Na-2H]-145.032859911
AllCCS[M+HCOO]-146.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
L-2-Aminoethyl seryl phosphateNCCOP(O)(=O)OCC(N)C(O)=O2441.2Standard polar33892256
L-2-Aminoethyl seryl phosphateNCCOP(O)(=O)OCC(N)C(O)=O1867.4Standard non polar33892256
L-2-Aminoethyl seryl phosphateNCCOP(O)(=O)OCC(N)C(O)=O2231.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-2-Aminoethyl seryl phosphate,1TMS,isomer #1C[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN2006.2Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(OCCN)OCC(N)C(=O)O2065.6Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,1TMS,isomer #3C[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O2141.6Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,1TMS,isomer #4C[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O2121.0Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #1C[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN)O[Si](C)(C)C2013.7Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #1C[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN)O[Si](C)(C)C2021.1Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #2C[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O[Si](C)(C)C2093.7Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #2C[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O[Si](C)(C)C2064.6Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #3C[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C2091.2Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #3C[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C2091.6Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #4C[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C2130.1Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #4C[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C2111.0Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #5C[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C)C(=O)O2142.8Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #5C[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C)C(=O)O2086.0Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #6C[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O2176.9Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #6C[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O2154.5Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #7C[Si](C)(C)N(CCOP(=O)(O)OCC(N)C(=O)O)[Si](C)(C)C2295.0Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #7C[Si](C)(C)N(CCOP(=O)(O)OCC(N)C(=O)O)[Si](C)(C)C2203.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #8C[Si](C)(C)N(C(COP(=O)(O)OCCN)C(=O)O)[Si](C)(C)C2251.0Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TMS,isomer #8C[Si](C)(C)N(C(COP(=O)(O)OCCN)C(=O)O)[Si](C)(C)C2126.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #1C[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2121.5Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #1C[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2163.3Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #10C[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2320.4Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #10C[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2303.1Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #2C[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2108.2Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #2C[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2185.5Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #3C[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2145.2Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #3C[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2226.6Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #4C[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN)N([Si](C)(C)C)[Si](C)(C)C2232.5Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #4C[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN)N([Si](C)(C)C)[Si](C)(C)C2187.8Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #5C[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C2272.6Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #5C[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C2258.7Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #6C[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C2210.7Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #6C[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C2249.0Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #7C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OCC(N)C(=O)O2293.4Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #7C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OCC(N)C(=O)O2277.9Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(OCCN)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2256.1Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #8C[Si](C)(C)OP(=O)(OCCN)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2206.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #9C[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2352.3Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TMS,isomer #9C[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2316.0Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #1C[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2170.9Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #1C[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2306.0Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #2C[Si](C)(C)OC(=O)C(COP(=O)(OCCN)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2253.8Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #2C[Si](C)(C)OC(=O)C(COP(=O)(OCCN)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2269.5Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #3C[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2280.3Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #3C[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2315.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #4C[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2339.4Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #4C[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2359.1Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #5C[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2286.1Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #5C[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2354.5Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #6C[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2361.3Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #6C[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2355.3Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #7C[Si](C)(C)NCCOP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2315.0Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #7C[Si](C)(C)NCCOP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2363.7Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #8C[Si](C)(C)N(CCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2530.3Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TMS,isomer #8C[Si](C)(C)N(CCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2462.1Standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #1C[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2351.9Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #1C[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2388.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #2C[Si](C)(C)NCCOP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2305.1Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #2C[Si](C)(C)NCCOP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2391.8Standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #3C[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2537.0Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #3C[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2480.9Standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #4C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2545.3Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TMS,isomer #4C[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2476.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,6TMS,isomer #1C[Si](C)(C)OC(=O)C(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2563.3Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,6TMS,isomer #1C[Si](C)(C)OC(=O)C(COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2482.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN2238.8Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OCC(N)C(=O)O2296.4Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O2373.6Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O2325.0Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C2443.8Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C2413.7Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O[Si](C)(C)C(C)(C)C2480.3Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN)C(=O)O[Si](C)(C)C(C)(C)C2454.8Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C2505.0Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C2517.5Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C2561.5Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C2535.8Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)C(=O)O2526.1Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)C(=O)O2452.1Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O2579.6Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O2542.9Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(CCOP(=O)(O)OCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2709.0Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(CCOP(=O)(O)OCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2602.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(COP(=O)(O)OCCN)C(=O)O)[Si](C)(C)C(C)(C)C2643.9Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(COP(=O)(O)OCCN)C(=O)O)[Si](C)(C)C(C)(C)C2493.0Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2707.6Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2669.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2949.5Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2828.4Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2729.7Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2726.0Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2742.9Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2781.6Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2848.4Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2734.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2892.0Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2818.6Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C2809.4Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C2766.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OCC(N)C(=O)O2939.2Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OCC(N)C(=O)O2838.3Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2883.9Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OCCN)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2703.3Standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2969.5Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2855.2Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3000.1Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2934.5Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3077.6Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2896.8Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3121.3Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2976.1Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3176.6Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3044.5Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3140.3Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCOP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3033.5Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3210.5Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2998.3Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(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)C3172.6Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(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)C2980.3Standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3311.2Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCOP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3091.9Standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3397.3Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3148.3Standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3362.2Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCOP(=O)(OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3140.0Standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3537.4Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3266.9Standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3543.9Semi standard non polar33892256
L-2-Aminoethyl seryl phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3208.6Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - L-2-Aminoethyl seryl phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-4900000000-919428a414350af811232017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-2-Aminoethyl seryl phosphate GC-MS (1 TMS) - 70eV, Positivesplash10-001i-3900000000-4ab8b6ab395f0bf8d6252017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-2-Aminoethyl seryl 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 - L-2-Aminoethyl seryl phosphate 10V, Positive-QTOFsplash10-0006-9110000000-f4f86d7635dc9a8f06312016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 20V, Positive-QTOFsplash10-0006-9100000000-5c5db73feaf996ec5edd2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 40V, Positive-QTOFsplash10-0006-9000000000-03df1c2f1c617108c9502016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 10V, Negative-QTOFsplash10-0059-4950000000-df3cf6b48bf5e9f0e02f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 20V, Negative-QTOFsplash10-004i-9610000000-c7483cea45df675a94852016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 40V, Negative-QTOFsplash10-004i-9000000000-ecc855a3811df0dffe322016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 10V, Positive-QTOFsplash10-002f-3690000000-3b16f5f28397ec554f992021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 20V, Positive-QTOFsplash10-0007-9300000000-827a371c5f828d8d1f362021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 40V, Positive-QTOFsplash10-0006-9000000000-ffccb6a032d3b6c0de482021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 10V, Negative-QTOFsplash10-004l-9500000000-5f0e9596369ce548ae4e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 20V, Negative-QTOFsplash10-004i-9200000000-fc26eff7763e8b3f87c32021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-2-Aminoethyl seryl phosphate 40V, Negative-QTOFsplash10-004i-9000000000-ca30e71e114ea66730882021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008641
KNApSAcK IDNot Available
Chemspider ID2544038
KEGG Compound IDC03872
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25201528
PDB IDNot Available
ChEBI ID15916
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .