NPs Basic Information

Name
Arginine
Molecular Formula C6H14N4O2
IUPAC Name*
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
SMILES
C(C[C@@H](C(=O)O)N)CN=C(N)N
InChI
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
InChIKey
ODKSFYDXXFIFQN-BYPYZUCNSA-N
Synonyms
L-arginine; arginine; 74-79-3; L-(+)-Arginine; L(+)-Arginine; L-Arg; (S)-2-Amino-5-guanidinopentanoic acid; H-Arg-OH; (L)-Arginine; Arginina; ARGININE, L-; Arginine (VAN); L-Arginin; Argininum [INN-Latin]; Arginina [INN-Spanish]; L-Ornithine, N5-(aminoiminomethyl)-; Argamine; Argivene; Detoxargin; Levargin; L-alpha-Amino-delta-guanidinovaleric acid; arg; Minophagen A; 1-Amino-4-guanidovaleric acid; CCRIS 3609; (S)-(+)-arginine; NSC 206269; CHEBI:16467; HSDB 1429; AI3-24165; (S)-2-Amino-5-((aminoiminomethyl)amino)pentanoic acid; (S)-2-Amino-5-guanidinovaleric acid; BRN 1725413; L-Norvaline, 5-((aminoiminomethyl)amino)-; 2-amino-5-guanidinovaleric acid; CHEMBL1485; (2S)-2-amino-5-guanidinopentanoic acid; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 94ZLA3W45F; (2S)-2-amino-5-carbamimidamidopentanoic acid; Pentanoic acid, 2-amino-5-((aminoiminomethyl)amino)-, (S)-; (2S)-2-amino-5-(carbamimidamido)pentanoic acid; L-Arginine, monohydrochloride; NSC-206269; Arginine (L-Arginine); R-Gene; L-Norvaline, 5-[(aminoiminomethyl)amino]-; DSSTox_CID_21056; DSSTox_RID_79618; DSSTox_GSID_41056; Argininum; Pentanoic acid, 2-amino-5-[(aminoiminomethyl)amino]-, (S)-; Arginine [USAN:INN]; CAS-74-79-3; Arginine [USP:INN]; EINECS 200-811-1; MFCD00002635; 2-AMINO-5-GUANIDINO-PENTANOIC ACID; UNII-94ZLA3W45F; NSC203450; 3h-l-arginine; L-Arginine, labeled with tritium; 1laf; L-a-Amino-d-guanidinovaleric acid; NCGC00015064-02; (S)-Arginine; L(+) arginine; L-Aryginine,(S); H-Arg; L-(+) arginine; L(+)-Arginine;; L-Arginine (9CI); Arginine (USP/INN); Tocris-0663; (2S)-2-amino-5-guanidino-pentanoic acid; ARGININE [HSDB]; ARGININE [INCI]; L-Arginine (JP17); ARGININE [INN]; ARGININE [II]; ARGININE [MI]; ARGININE [VANDF]; GND; Lopac-A-5006; Arginine, L- (8CI); ARGININE [MART.]; L-ARGININE [FCC]; L-ARGININE [JAN]; ARGININE [WHO-DD]; bmse000029; bmse000899; bmse000919; Epitope ID:140084; L-Arginine (H-Arg-OH); L-ARGININE [FHFI]; EC 200-811-1; SCHEMBL1791; 2-amino-5-guanidinovalerate; Lopac0_000077; Arginine hydrochloride(USAN); GTPL721; L-ARGININE [USP-RS]; 4-04-00-02648 (Beilstein Handbook Reference); L-a-Amino-d-guanidinovalerate; L-Amino-4-guanidovaleric acid; ARGININE [EP IMPURITY]; US9138393, L-Arginine; US9144538, L-Arginine; 1-Amino-4-guanidovalerlic acid; ARGININE [EP MONOGRAPH]; ARGININE [USP MONOGRAPH]; DTXSID6041056; BDBM21959; L-Arginine, 99%, FCC, FG; BDBM181132; HMS3260O15; N5-(aminoiminomethyl)-L-Ornithine; HY-N0455; ZINC1532525; L-Arginine, Vetec(TM), 98.5%; Tox21_113046; Tox21_500077; AC-083; L-2-Amino-5-guanidinopentanoic acid; L-alpha-Amino-delta-guanidinovalerate; L-Arginine, reagent grade, >=98%; s5634; AKOS006239069; AKOS015854096; Tox21_113046_1; AM81500; CCG-204172; DB00125; LP00077; SDCCGSBI-0050065.P002; L-Arginine, 99%, natural, FCC, FG; (s)-2-amino-5-guanidino-pentanoic acid; 5-[(aminoiminomethyl)amino]-L-Norvaline; NCGC00015064-01; NCGC00024715-01; NCGC00024715-02; NCGC00024715-03; NCGC00024715-04; NCGC00024715-05; NCGC00024715-10; NCGC00260762-01; 4455-52-1; AS-14190; L-Arginine, BioUltra, >=99.5% (NT); SBI-0207062.P001; A0526; EU-0100077; L-Arginine, SAJ special grade, >=98.0%; EN300-73669; A 5006; C00062; D02982; L-Arginine, Vetec(TM) reagent grade, >=98%; LYSINE ACETATE IMPURITY F [EP IMPURITY]; M02981; 2-azaniumyl-5-(diaminomethyleneammonio)pentanoate; AB00374192_03; Norvaline, 5-[(aminoiminomethyl)amino]-, (L)-; 002A635; A837397; A929348; Q173670; SR-01000075479; SR-01000597671; (S)-2-amino-5-[(aminoiminomethyl)amino]-Pentanoate; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoate; SR-01000075479-1; SR-01000597671-1; W-104410; (S)-2-amino-5-[(aminoiminomethyl)amino]-Pentanoic acid; Arginine, European Pharmacopoeia (EP) Reference Standard; (2S)-2-amino-5-[(diaminomethylidene)amino]pentanoic acid; 7F15B0C7-356D-45D7-AC33-03AEE4394A0E; S-(+)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; L-Arginine, United States Pharmacopeia (USP) Reference Standard; L-Arginine, Pharmaceutical Secondary Standard; Certified Reference Material; L-; L-Arginine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, 98.5-101.0%
CAS 74-79-3
PubChem CID 6322
ChEMBL ID CHEMBL1485
*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: Arginine and derivatives

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: 174.2 ALogp: -4.2
HBD: 4 HBA: 4
Rotatable Bonds: 5 Lipinski's rule of five: Accepted
Polar Surface Area: 128.0 Aromatic Rings: 0
Heavy Atoms: 12 QED Weighted: 0.241

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -6.474 MDCK Permeability: 0.00330461
Pgp-inhibitor: 0.001 Pgp-substrate: 0.676
Human Intestinal Absorption (HIA): 0.031 20% Bioavailability (F20%): 0.004
30% Bioavailability (F30%): 0.052

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.509 Plasma Protein Binding (PPB): 6.44%
Volume Distribution (VD): 0.62 Fu: 91.96%

ADMET: Metabolism

CYP1A2-inhibitor: 0.005 CYP1A2-substrate: 0.03
CYP2C19-inhibitor: 0.029 CYP2C19-substrate: 0.052
CYP2C9-inhibitor: 0.015 CYP2C9-substrate: 0.055
CYP2D6-inhibitor: 0.015 CYP2D6-substrate: 0.286
CYP3A4-inhibitor: 0.003 CYP3A4-substrate: 0.01

ADMET: Excretion

Clearance (CL): 7.126 Half-life (T1/2): 0.636

ADMET: Toxicity

hERG Blockers: 0.075 Human Hepatotoxicity (H-HT): 0.029
Drug-inuced Liver Injury (DILI): 0.01 AMES Toxicity: 0.079
Rat Oral Acute Toxicity: 0.083 Maximum Recommended Daily Dose: 0.016
Skin Sensitization: 0.259 Carcinogencity: 0.045
Eye Corrosion: 0.003 Eye Irritation: 0.028
Respiratory Toxicity: 0.367
*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
ENC000137 0.543 D0F5DO 1.000
ENC002789 0.537 D01JIA 0.474
ENC001514 0.509 D00ENY 0.400
ENC000550 0.500 D09PPG 0.392
ENC000123 0.500 D01OPV 0.385
ENC000795 0.475 D03CHT 0.333
ENC000760 0.385 D02UDJ 0.333
ENC000539 0.357 D0P0QK 0.324
ENC000937 0.306 D0X5SI 0.311
ENC001215 0.273 D07WXE 0.278
*Note: the compound similarity was calculated by RDKIT.