Molecule

D-leucinium

AlkaPlorer ID: AK001090

Synonym: '', 'L-leucinate', '(RS)-Leucine', 'D-Leucine', '(1R)-1-carboxy-3-methylbutan-1-aminium', 'LEUCINE,(L)', '(2R)-2-amino-4-methylpentanoic acid', 'L-Leuzin', 'D-leucine anion', '.alpha.-Aminoisocaproic acid', 'D-leucinate', '(S)-(+)-leucine', 'L-Leucine', 'leucine', 'L-Leucin', 'L(+)-Leucine', '(1S)-1-carboxy-3-methylbutan-1-aminium', 'D-2-Amino-4-methylvaleric acid', '(S)-(+)-Leucine', 'D-leucine cation', 'D-LEUCINE', 'Leucin', '(2S)-alpha-2-Amino-4-methylvaleric acid', 'DLE', 'L-leucine cation', '(2S)-2-amino-4-methylpentanoate', 'L-Leu', 'Norvaline, 4-methyl-', 'L-leucine', 'D-Leucin', 'L', '(2R)-2-amino-4-methylpentanoate', '(R)-leucine', 'Pentanoic acid, 2-amino-4-methyl-', '(2S)-2-amino-4-methylpentanoic acid', 'Leuzin', '(+-)-Leucine', '2-Amino-4-methylvaleric acid', 'Valeric acid, 2-amino-4-methyl-', 'L-leucine anion', '(2S)-alpha-Leucine', 'D-leucine', 'DL-Leucine', '2-Amino-4-methylpentanoic acid', '(R)-(-)-leucine', '2-amino-4-methylpentanoic acid', 'D-Leuzin', 'L-leucinium', 'Hleu', '(S)-leucine', 'LEUCINE', 'Leu'

IUPAC Name: (2R)-2-amino-4-methylpentanoic acid

Structure

SMILES: CC(C)C[C@@H](N)C(=O)O

InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1

InChIKey: ROHFNLRQFUQHCH-RXMQYKEDSA-N

Reference

d-Amino acid-N-acetyltransferase of Saccharomyces cerevisiae: a close homologue of histone acetyltransferase Hpa2p acting exclusively on free d-amino acids

PubChem CID: 133135469

CAS: 328-38-1

LOTUS: LTS0076699

SuperNatural Ⅲ: SN0330814-01

NPASS: NPC317541

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ginkgo biloba	Ginkgo	Ginkgoaceae	Ginkgoales	Ginkgoopsida	Streptophyta	Viridiplantae	Eukaryota
Sinapis alba	Sinapis	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Centipeda minima	Centipeda	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Calvatia gigantea	Calvatia	Lycoperdaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Brassica juncea	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tussilago farfara	Tussilago	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium sativum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Saccharomyces cerevisiae	Saccharomyces	Saccharomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota
Calvatia fenzlii	Calvatia	Lycoperdaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Calvatia lilacina	Calvatia	Lycoperdaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 131.175

TPSA？: 63.32000000000001

MolLogP？: 0.4443999999999999

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	L-type amino acid transporter 1	Activity	100.0	%	10.1021/acs.jmedchem.8b01007
Homo sapiens	L-type amino acid transporter 1	IC50	220000.0	nM	10.1021/acs.jmedchem.8b01007
Homo sapiens	L-type amino acid transporter 1	Inhibition	56.0	%	10.1021/acs.jmedchem.8b01007
Homo sapiens	Prelamin-A/C	Potency	501.2	nM	None
Homo sapiens	Regulator of G-protein signaling 4	Potency	37685.8	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	10691.0	nM	None
Rattus norvegicus	Inositol monophosphatase 1	Potency	5011.9	nM	None
Rattus norvegicus	Monocarboxylate transporter 10	Activity	nan	None	10.1074/jbc.m009462200
None	Unchecked	Ac50	0.3981	uM	None
None	Unchecked	Ac50	0.7943	uM	None
None	Unchecked	Ac50	0.8913	uM	None
None	Unchecked	AC50	398.1	nM	None
None	Unchecked	AC50	794.3	nM	None
None	Unchecked	AC50	891.3	nM	None

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002007	CC(=O)C(=O)O.CC(C)C[C@@H](N)C(=O)O>>CC(C)CC(=O)C(=O)O	enzymemap_41827
AKRT002008	CC(=O)C(=O)O.CC(C)C[C@@H](N)C(=O)O>>CC(C)CC(=O)C(=O)O.C[C@@H](N)C(=O)O	None
AKRT003086	CC(=O)N[C@H](CC(C)C)C(=O)O>>CC(=O)O.CC(C)C[C@@H](N)C(=O)O	None
AKRT003087	CC(=O)N[C@H](CC(C)C)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_77892
AKRT004055	CC(=O)O.CC(C)C[C@@H](N)C(=O)O>>CC(=O)N[C@H](CC(C)C)C(=O)O	None
AKRT004495	CC(=O)[CoA].CC(C)C[C@@H](N)C(=O)O>>CC(=O)N[C@H](CC(C)C)C(=O)O	enzymemap_30753
AKRT005451	CC(C)CC(=O)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	MNXR133936
AKRT005564	CC(C)C[C@@H](N)C(=O)NCC(=O)NCC(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_66299
AKRT005566	CC(C)C[C@@H](N)C(=O)NCC(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_66366
AKRT005571	CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_66296
AKRT005572	CC(C)C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>CC(C)C[C@@H](N)C(=O)O	enzymemap_66498
AKRT005573	CC(C)C[C@@H](N)C(=O)O.CC(C)C[C@@H](N)C(=O)O>>CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)O	enzymemap_90697
AKRT005574	CC(C)C[C@@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.C[C@@H](N)C(=O)O.C[C@@H](O)[C@@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1>>CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2CC[C@H]3O[C@H](C)[C@@H](NC1=O)C(=O)N23	72047
AKRT005575	CC(C)C[C@@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>CC(C)CC(=O)C(=O)O.N[C@H](CCC(=O)O)C(=O)O	None
AKRT005576	CC(C)C[C@@H](N)C(=O)O>>CC(C)CC(=O)C(=O)O	enzymemap_22405
AKRT005577	CC(C)C[C@@H](N)C(=O)O>>CC(C)C[C@H](N)C(=O)O	RXN-20895
AKRT005578	CC(C)C[C@@H](N)C(=O)O>>C[C@@H](N)C(=O)O	enzymemap_41827
AKRT005579	CC(C)C[C@@H](NC(=O)CN)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_66292
AKRT005581	CC(C)C[C@@H](NC(=O)CNC(=O)CN)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_66300
AKRT005583	CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_77883
AKRT005584	CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)CCCC[C@H](NC(=O)CN)C(=O)O)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_67327
AKRT005589	CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_66418
AKRT005591	CC(C)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_68224
AKRT005593	CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_69226
AKRT005595	CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_77890
AKRT005596	CC(C)C[C@@H](NC(N)=O)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_77868
AKRT005597	CC(C)C[C@@H](NC=O)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_77918
AKRT005815	CC(C)C[C@H](N)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	59396
AKRT007134	CCC(=O)N[C@H](CC(C)C)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_77919
AKRT007164	CCC(=O)[CoA].CC(C)C[C@@H](N)C(=O)O>>CCC(=O)N[C@H](CC(C)C)C(=O)O	enzymemap_30769
AKRT011123	COC(=O)[C@H](N)CC(C)C>>CC(C)C[C@@H](N)C(=O)O	enzymemap_52961
AKRT012327	CSCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_66417
AKRT015317	Cc1ncc(COP(=O)(O)O)c(C=O)c1O.CC(C)C[C@@H](N)C(=O)O>>Cc1ncc(COP(=O)(O)O)c(CN[C@H](CC(C)C)C(=O)O)c1O	enzymemap_22609
AKRT015362	Cc1ncc(COP(=O)(O)O)c(CN[C@H](CC(C)C)C(=O)O)c1O>>CC(C)C[C@@H](N)C(=O)O	enzymemap_22587