UCSF

ZINC03581355

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 9 Yes

Popular Name: L-Isoleucine L-Isoleucine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 131598-62-4 , 1509-34-8 , 1509-35-9 , 3107-04-8 , 319-78-8 , 443-79-8 , 73-32-5 , [443-79-8] , [73-32-5]

Other Names:

"DL-IsoLeucine, 99%"

"L-Isoleucine, 99%"

(+/-)-2-Amino-3-methylpentanoic acid

(+/-)-erythro-form;(+/-)-Isoleucine;FEMA 3295;Isoleucine

(2R,3R)-2-Amino-3-methylpentanoicacid

(2S,3S)-2-amino-3-methyl-Pentanoate; (2S,3S)-2-amino-3-methyl-Pentanoic acid; (2S,3S)-2-Amino-3-methylpentanoate; (2S,3S)-2-Amino-3-methylpentanoic acid; (2S,3S)-a-Amino-b-methyl-n-valerate; (2S,3S)-a-Amino-b-methyl-n-valeric acid; (2S,3S)-a-Amino-b-methy

(2S,3S)-2-amino-3-methyl-Pentanoate;(2S,3S)-2-amino-3-methyl-Pentanoic acid;(2S,3S)-2-Amino-3-methylpentanoate;(2S,3S)-2-Amino-3-methylpentanoic acid;(2S,3S)-a-Amino-b-methyl-N-valerate;(2S,3S)-a-Amino-b-methyl-N-valeric acid;(2S,3S)-a-Amino-b-methylvaler

(2S,3S)-2-Amino-3-methylpentanoate; (2S,3S)-2-Amino-3-methylpentanoic acid; (2S,3S)-2-amino-3-methyl-Pentanoate; (2S,3S)-2-amino-3-methyl-Pentanoic acid; (2S,3S)-a-Amino-b-methyl-N-valerate; (2S,3S)-a-Amino-b-methyl-N-valeric acid; (2S,3S)-a-Amino-b-methy

(2S,3S)-2-amino-3-methylpentanoate; L-isoleucine anion

(2S,3S)-2-Amino-3-methylpentanoate;(2S,3S)-2-Amino-3-methylpentanoic acid;(2S,3S)-2-amino-3-methyl-Pentanoate;(2S,3S)-2-amino-3-methyl-Pentanoic acid;(2S,3S)-a-Amino-b-methyl-N-valerate;(2S,3S)-a-Amino-b-methyl-N-valeric acid;(2S,3S)-a-Amino-b-methylvaler

(2S,3S)-2-Amino-3-methylpentanoic acid

(2S,3S)-2-Amino-3-methylpentanoic acid; (2S,3S)-alpha-Amino-beta-merthyl-n-valeric acid; (2S,3S)-alpha-Amino-beta-merthylvaleric acid; (2S,3S)-alpha-Amino-beta-methyl-n-valeric acid; (S)-Isoleucine; (S,S)-Isoleucine; (S-(R*,R*))-2-Amino-3-methylpentanoic

(2S,3S)-2-amino-3-methylpentanoic acid; ISOLEUCINE; alpha-amino-beta-methylvaleric acid

(2S,3S)-2-ammonio-3-methylpentanoate; L-isoleucine

(2S,3S)-a-Amino-b-methyl-n-valeric acid

(2S,3S)-a-Amino-b-methylvaleric acid

(±)-erythro-Isoleucine

(S)-Isoleucine

(S,S)-2-amino-3-methyl-pentanoicacid;(s,s)-isoleucine;[S-(R*,R*)]-2-Amino-3-methylpentanoic acid

(S,S)-Isoleucine

2-amino-3-methylpentanoic acid

2-Amino-3-methylvaleric acid

2-Amino-3-methylvaleric acid; 73-32-5; C00407; L-Isoleucine

269

2S,3S-Isoleucine

2S-Amino-3S-methylpentanoic acid

443-79-8; C16434; Isoleucine

73-32-5; D00065; Isoleucine (USP); L-Isoleucine (JP16)

73-32-5; L-isoleucine; ile; iso-leucine

CHEBI:43290; CHEBI:43342; CHEBI:43366; CHEBI:6255; CHEBI:21344; CHEBI:13127

D-Alloisoleucine

DL-allo-isoleucine

DL-Isoleucine

DL-Isoleucine, 99%

erythro-L-Isoleucine

H-DL-Ile-OH

H-Ile-OH

H-lle-OH

Isoleucine

Isoleucine (INN

ISOLEUCINE (L)

L-(+)-Isoleucine

L-ALLO-2-AMINO-3-METHYLPENTANOIC ACID

L-allo-Isoleucine

L-Ile

L-isoleucinate

L-isoleucine zwitterion

L-Isoleucine [73-32-5]

L-Isoleucine, 99%

L-ISOLEUCINE; [73-32-5]

MFCD00004268

MFCD00064222

MFCD00066445

MFCD00066681

USAN

USP); L-Isoleucine (JAN)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.41 2.19 -37.86 3 3 0 68 131.175 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.083 Bitter DB
SOLUBILITY 1 M HCl: 50 mg/mL Indofine
ALOGPS_SOLUBILITY 1.14e+02 g/l DrugBank-nutriceuticals
Mp [°C] 284 - 286 Acros Organics
M.P 288 °C Indofine
UniProt Database Links 2ABB_RAT; 2ENR_CLOTY; A70A_DROME; ABCA5_DICDI; ACDSB_HUMAN; ADP1_MYCGL; ADP2_MYCGA; AEEP_THEMA; AEGL_AGRAE; AGP1_SACBA; AGP1_YEAS7; AGP1_YEAST; AIM2_HUMAN; AK1_ARATH; AK1_BACSU; AK2_ARATH; AK2_BACSU; AK3_ARATH; AK3_BACSU; AKH1_ARATH; AKH2_ARATH; AK_BACSG ChEBI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
UniProt Database Links ACDSB_HUMAN; CIMA_ARCFU; CIMA_METAC; CIMA_METJA; CIMA_METKA; CIMA_METMA; CIMA_METMJ; CIMA_METPE; CIMA_METTH; ILV3_SCHPO; ILV3_YEAST; ILV5_ARATH; ILV5_NEUCR; ILV5_ORYSJ; ILV5_PEA; ILV5_POPEU; ILV5_SCHPO; ILV5_SPIOL; ILV5_YEAST; ILV6_SCHPO; ILV6_YEAST; ILVA ChEBI
Therapy amino acid, nutrient SMDC Pharmakon
Melting_Point ca 280? dec. Alfa-Aesar
Melting_Point ca 280° dec. Alfa-Aesar
Melting_Point ca 287? dec. Alfa-Aesar
Melting_Point ca 287° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0917565A1; WO1997040144A1 IBM Patent Data
Patent Database Links EP0928790; EP1123935; EP1127869; EP1422218; EP1568283; EP1582208; EP1609462; EP1616963; EP1627884; EP1632233; EP1762232; EP1774858; EP1849466; EP1869977; EP1875921; EP1935417; EP1983044; GB1320104; GB1585736; US2003219879; US2004034080; US2006223760; US20 ChEBI
Notes Pyrogen free fw 131.2 Apollo Scientific Bioactives
Reactome Database Links REACT_111140; REACT_111222; REACT_1136; REACT_13479; REACT_13482; REACT_13593; REACT_13642; REACT_13741; REACT_14802; REACT_14843; REACT_15423; REACT_15516; REACT_19313; REACT_19377; REACT_2034; REACT_21283; REACT_21409; REACT_75867; REACT_75920 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Amino acid transport across the plasma membrane
Antigen Presentation: Folding, assembly and peptide loading of class I MHC
Antigen processing: Ubiquitination & Proteasome degradation
Branched-chain amino acid catabolism
Cross-presentation of soluble exogenous antigens (endosomes)
Cytosolic tRNA aminoacylation
Endosomal/Vacuolar pathway
ER-Phagosome pathway
Glutathione synthesis and recycling
Mitochondrial tRNA aminoacylation
Na+/Cl- dependent neurotransmitter transporters
Proton/oligonucleotide cotransporters

Analogs ( Draw Identity 99% 90% 80% 70% )