Np mrd loader

Record Information
Version2.0
Created at2024-09-11 23:38:36 UTC
Updated at2024-09-11 23:38:36 UTC
NP-MRD IDNP0339806
Secondary Accession NumbersNone
Natural Product Identification
Common Name2-phospho-D-glycerate
Description 2-phospho-D-glycerate was first documented in 2022 (PMID: 35869434). Based on a literature review a small amount of articles have been published on 2-phospho-D-glycerate (PMID: 38897922) (PMID: 35691366) (PMID: 35434271) (PMID: 35400670).
Structure
Thumb
Synonyms
ValueSource
2-Phospho-D-glyceric acidGenerator
Chemical FormulaC3H4O7P
Average Mass183.0330 Da
Monoisotopic Mass182.97111 Da
IUPAC Name3-hydroxy-2-(phosphonatooxy)propanoate
Traditional Name2-phosphoglycerate(3-)
CAS Registry NumberNot Available
SMILES
OCC(OP([O-])([O-])=O)C([O-])=O
InChI Identifier
InChI=1/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/p-3
InChI KeyGXIURPTVHJPJLF-UHFFFAOYNA-K
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.6ChemAxon
pKa (Strongest Acidic)0.81ChemAxon
pKa (Strongest Basic)-3.1ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area132.78 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity39.85 m³·mol⁻¹ChemAxon
Polarizability12.4 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link2-Phosphoglyceric acid
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Lu R, Yang L, Jia S, Zhang Y, Xu X, Cao X, Sun J: Proteomic analysis of exosomes derived from fatty hepatocytes of grass carp. J Fish Biol. 2024 Sep;105(3):886-893. doi: 10.1111/jfb.15840. Epub 2024 Jun 19. [PubMed:38897922 ]
  2. Li AM, Chen ZL, Qin CX, Li ZT, Liao F, Wang MQ, Lakshmanan P, Li YR, Wang M, Pan YQ, Huang DL: Proteomics data analysis using multiple statistical approaches identified proteins and metabolic networks associated with sucrose accumulation in sugarcane. BMC Genomics. 2022 Jul 22;23(1):532. doi: 10.1186/s12864-022-08768-2. [PubMed:35869434 ]
  3. Inyawilert W, Rungruangsak J, Liao YJ, Wirojwutthikul S, Phinyo M, Tang PC, Wanangkarn A, Tiantong A: Gamma-oryzanol supplemented in extender enhances the quality of semen cryopreservation and alters proteomic profile in Thai swamp buffalo. Cryobiology. 2022 Aug;107:35-41. doi: 10.1016/j.cryobiol.2022.06.001. Epub 2022 Jun 9. [PubMed:35691366 ]
  4. Huang CK, Sun Y, Lv L, Ping Y: ENO1 and Cancer. Mol Ther Oncolytics. 2022 Jan 3;24:288-298. doi: 10.1016/j.omto.2021.12.026. eCollection 2022 Mar 17. [PubMed:35434271 ]
  5. Gonzalez JM, Marti-Arbona R, Chen JCH, Unkefer CJ: The structure of Synechococcus elongatus enolase reveals key aspects of phosphoenolpyruvate binding. Acta Crystallogr F Struct Biol Commun. 2022 Apr 1;78(Pt 4):177-184. doi: 10.1107/S2053230X22003612. Epub 2022 Apr 3. [PubMed:35400670 ]