DICL_CP_0309561 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0309561

PubChem CID

9750

Molecular Formula

C₆H₁₃N₃O₃

Molecular Weight

175.188 g/mol

Synonyms/Alias

[L-citrulline; citrulline; 372-75-8; H-cit-oh; delta-Ureidonorvaline; Sitrulline; (S)-2-Amino-5-ureidopentanoic acid; N5-Carbamoyl-L-ornithine; L-Cytrulline; Citrulline; L-; N(delta)-Carbamylornithine...[L-citrulline; citrulline; 372-75-8; H-cit-oh; delta-Ureidonorvaline; Sitrulline; (S)-2-Amino-5-ureidopentanoic acid; N5-Carbamoyl-L-ornithine; L-Cytrulline; Citrulline; L-; N(delta)-Carbamylornithine; N5-(Aminocarbonyl)ornithine; N5-carbamoylornithine; Ornithine; N5-(aminocarbonyl)-; L(+)-citrulline; alpha-Amino-delta-ureidovaleric acid; L-2-Amino-5-ureidovaleric acid; L-Ornithine; N5-(aminocarbonyl)-; N5-(Aminocarbonyl)-L-ornithine; (2S)-2-amino-5-(carbamoylamino)pentanoic acid; 2-Amino-5-ureidovaleric acid; L-citrullin; UNII-29VT07BGDA; EINECS 206-759-6; 29VT07BGDA; MFCD00064397; NSC 27425; Ornithine; N5-carbamoyl-; L-; CHEBI:16349; Ngamma-carbamylornithine; N(5)-(aminocarbonyl)-L-ornithine; NSC-27425; N(5)-carbamoyl-L-ornithine; DTXSID80883373; d-ureidonorvaline; gamma-ureidonorvaline; N(SUP 5)-(AMINOCARBONYL)-L-ORNITHINE; CITRULLINE (MART.); CITRULLINE [MART.]; 2-Amino-5-uredovaleric acid; CIR; L-CITRULLINE (USP-RS); L-CITRULLINE [USP-RS]; L-(+)-Citrulline; (2S)-2-Amino-5-(carbamoylamino)pentanoic Acid (Citrulline); Ornithine; N5-carbamoyl-; L- (8CI); N(5)-carbamoylornithine; N5-carbamylornithine; N~5~-carbamoyl-L-ornithine; Cytrulline; Ureidonorvaline; Ureidovalerate; H-Orn(carbamoyl)-OH;L-Citrulline; L-Citruline; gammaureidonorvaline; N-carbamylornithine; L-Citrulline; 4; Amino-ureidovalerate; ND-carbamylornithine; L-Citrulline;(S); L(+)-Citrulline;; N()-carbamylornithine; L-Citrulline (DCF); L-Citrulline; 98%; Ndelta-Carbamylornithine; starbld0002494; Amino-ureidovaleric acid; Ndelta-carbamy-ornithine; CITRULLINE [MI]; A-amino-d-ureidovalerate; 2-Amino-5-uredovalerate; 2-Amino-5-ureidovalerate; L-N5-carbamoyl-Ornithine; CITRULLINE [VANDF]; bmse000032; bmse000800; bmse000858; CITRULLINE [WHO-DD]; A-amino-d-ureidovaleric acid; L-2-Amino-5-ureidovalerate; SCHEMBL20588; GTPL722; (2S)-2-amino-5-(aminocarbonylamino)pentanoic acid; N5-(aminocarbonyl)-Ornithine; L-2-Amino-5-ureido-valerate; CHEMBL444814; Alpha-amino-delta-ureidovalerate; Alpha-amino-gamma-ureidovalerate; SCHEMBL13254095; BDBM92903; (S)-2-Amino-5-ureidopentanoate; L(+)-2-Amino-5-ureidovalerate; L-2-Amino-5-ureido-valeric acid; L-Citrulline; >=98% (TLC); DTXCID301022909; HY-N0391; L(+)-2-Amino-5-ureidovaleric acid; s3798; AKOS005259571; AKOS006240677; AM82461; CCG-266398; CS-W019940; DB00155; SMP1_000146; NCGC00142602-01; AC-23976; AS-12594; (2S)-2-amino-5-(carbamoylamino)pentanoate; (S)-2-amino-5-(aminocarbonyl)aminopentanoate; C00327; D07706; D71216; EN300-251063; M03230; (S)-2-amino-5-(aminocarbonyl)aminopentanoic acid; A823585; Q408641; W-202536; EA65B21D-61C4-4748-9E9F-0CF6EDF9A21D; Z1198149761; L-Citrulline; United States Pharmacopeia (USP) Reference Standard]

InChI Key

RHGKLRLOHDJJDR-BYPYZUCNSA-N

InChI

InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1

IUPAC Name

(2S)-2-amino-5-(carbamoylamino)pentanoic acid

CAS Number

372-75-8

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

25 24 0 0 0 0 0 0 0 0999 V2000
-0.1708 -0.4255 -0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9252 -0.5433 0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3985 -0.093...

Download SDF File (2139 bytes)

Experimental Data

Activity Data

Target Ion Channel

Aquaporin-4

Uniprot Accession Number

P47863

Function

Inactive

Species

Rattus norvegicus (Rat)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

No effect

Experimental Conditions

Not mention

Holding Potential

Not specified

Temperature

18 °C

Test Method

Binding assay

Test Species

Xenopus laevis oocyte

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1016/j.bmc.2007.12.040

URL

N/A (Not available)

PMID

18182301

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

-1.1532

Complexity

42.4313

TPSA (Å²)

118.44

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties