Natural Product: ENC002634

NPs Basic Information

Download MOL File
Name
L-gamma-glutamyl phosphate(2-)
Molecular Formula C5H8NO7P-2
IUPAC Name*
(2S)-2-azaniumyl-5-oxo-5-phosphonatooxypentanoate
SMILES
C(CC(=O)OP(=O)([O-])[O-])[C@@H](C(=O)[O-])[NH3+]
InChI
InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/p-2/t3-/m0/s1
InChIKey
PJRXVIJAERNUIP-VKHMYHEASA-L
Synonyms
L-gamma-glutamyl phosphate(2-); gamma-L-glutamyl-5-P; gamma-L-glutamyl 5-phosphate; CHEBI:58274; L-gamma-glutamyl phosphate dianion; (2S)-2-ammonio-5-oxo-5-(phosphonatooxy)pentanoate; (2S)-2-azaniumyl-5-oxo-5-(phosphonatooxy)pentanoate; Q27125662
CAS NA
PubChem CID 44457531
ChEMBL ID NA
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Organic acids and derivat
      • Class: Carboxylic acids and deri
        • Subclass: Amino acids, peptides, an
          • Direct Parent: Glutamic acid and derivat

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 225.09 ALogp: -4.3
HBD: 1 HBA: 7
Rotatable Bonds: 4 Lipinski's rule of five: Accepted
Polar Surface Area: 157.0 Aromatic Rings: 0
Heavy Atoms: 14 QED Weighted: 0.438

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -6.116 MDCK Permeability: 0.00369561
Pgp-inhibitor: 0 Pgp-substrate: 0.081
Human Intestinal Absorption (HIA): 0.838 20% Bioavailability (F20%): 0.092
30% Bioavailability (F30%): 0.799

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.743 Plasma Protein Binding (PPB): 12.49%
Volume Distribution (VD): 0.297 Fu: 84.35%

ADMET: Metabolism

CYP1A2-inhibitor: 0.001 CYP1A2-substrate: 0.018
CYP2C19-inhibitor: 0.047 CYP2C19-substrate: 0.033
CYP2C9-inhibitor: 0.026 CYP2C9-substrate: 0.689
CYP2D6-inhibitor: 0.089 CYP2D6-substrate: 0.11
CYP3A4-inhibitor: 0.01 CYP3A4-substrate: 0.004

ADMET: Excretion

Clearance (CL): 2.286 Half-life (T1/2): 0.798

ADMET: Toxicity

hERG Blockers: 0.009 Human Hepatotoxicity (H-HT): 0.066
Drug-inuced Liver Injury (DILI): 0.026 AMES Toxicity: 0.034
Rat Oral Acute Toxicity: 0.002 Maximum Recommended Daily Dose: 0.24
Skin Sensitization: 0.435 Carcinogencity: 0.023
Eye Corrosion: 0.013 Eye Irritation: 0.116
Respiratory Toxicity: 0.269
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC001759 0.409 D0OT0O 0.293
ENC002557 0.296 D03RCJ 0.267
ENC001760 0.239 D01EKQ 0.236
ENC000735 0.234 D04CJL 0.236
ENC000234 0.220 D0QC5D 0.236
ENC001900 0.220 D07QPM 0.228
ENC000795 0.212 D0Q4EW 0.228
ENC001253 0.208 D00ENY 0.224
ENC001036 0.208 D01JIA 0.224
ENC000758 0.208 D0OL6O 0.220
*Note: the compound similarity was calculated by RDKIT.