UCSF

ZINC03782550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 9 Yes

Other Names:

"5-Aminolevulinic acid hydrochloride, 98%"

106-60-5

106-60-5; 5-Amino-4-oxopentanoate; 5-amino-4-oxo-pentanoic acid; 5-amino-4-oxopentanoic acid; 5-amino-levulinate; 5-amino-levulinic acid; 5-aminolevulinate; 5-aminolevulinic acid; ALA; delta-aminolevulinic acid; gamma-aminolevulinic acid

106-60-5; 5-Amino-4-oxopentanoate; 5-Amino-4-oxovaleric acid; 5-Aminolevulinate; C00430

106-60-5; Aminolevulinic acid; D07567

35BEC718-C970-426A-9859-BF58284C60B4

4-oxo-5-amino-pentanoic acid

5-ALA

5-ALA; aminolevulinic acid; dALA; delta-ALA; delta-aminolevulinic acid

5-Amino-3-oxopentanoic acid (hydrochloride); 5-Aminolevulinate hydrochloride; 5-Aminolevulinic acid hydrochloride; AMINOLEVULINIC ACID HYDROCHLORIDE; Aminolevulinic Acid HCl; C5H9NO3.HCl; EINECS 226-679-5; LEVULAN; LS-87948; Levulan Kerastick; Levulinic a

5-Amino-4-ketovaleric acid hydrochloride

5-amino-4-oxo-Pentanoate; 5-amino-4-oxo-Pentanoic acid; 5-Amino-4-oxopentanoate; 5-Amino-4-oxopentanoic acid; 5-Amino-4-oxovalerate; 5-Amino-4-oxovaleric acid; 5-amino-Levulinate; 5-amino-Levulinic acid; 5-aminolaevulinate; 5-Aminolaevulinic acid; 5-Amino

5-Amino-4-oxo-Pentanoate;5-Amino-4-oxo-Pentanoic acid;5-Amino-4-oxopentanoate;5-Amino-4-oxopentanoic acid;5-Amino-4-oxovalerate;5-Amino-4-oxovaleric acid;5-Amino-Levulinate;5-Amino-Levulinic acid;5-Aminolaevulinate;5-Aminolaevulinic acid;5-Aminolevulinate

5-Amino-4-oxopentanoate

5-Amino-4-oxopentanoic acid

5-Amino-4-oxopentanoic acid HCl

5-Amino-4-oxopentanoic acid hydrochloride

5-Amino-4-oxopentanoic acid hydrochloride (5-Aminolevulinic acid hydrochloride)

5-Amino-4-oxopentanoic acid; 5-Amino-4-oxovaleric acid; 5-Aminolevulinic acid; Aminolevulinic acid; CCRIS 8958; EINECS 203-414-1; LS-101793; Pentanoic acid, 5-amino-4-oxo-

5-Amino-4-oxopentanoic acid; 5ALA; CID 123608; SID 24890811

5-amino-4-oxovaleric acid

5-amino-levulinate

5-amino-levulinic acid

5-Aminolevulinate

5-aminolevulinate; 5-ammonio-4-oxopentanoate; 5-ammonio-4-oxovalerate

5-Aminolevulinic acid

5-Aminolevulinic acid (hydrochloride)

5-Aminolevulinic acid hydrochloride, 99%

5-Aminolevulinic acid, HCl

5-Aminolevulinicacid

5-ammoniolevulinate

5451-09-2

5451-09-2; Aminolevulinic Acid; CPD000857229; SAM002589919

AC-054

AC1L18K9

AKOS003587520

ALA

ALA HCl

ALA-PDT

AlaCare

Aladerm

Aminolevulinate

Aminolevulinic

Aminolevulinic acid

Aminolevulinic Acid HCl (FDA

Aminolevulinic Acid Hydrochloride

Aminolevulinic Acid Hydrochloride (FDA

Aminolevulinic Acid; CPD000857229; SAM002589919

AMINOLEVULINICACIDHYDROCHLORIDE 5-

BIDD:GT0260

BSPBio_003407

C00430

CCRIS 8958

CHEBI:17549

CHEBI:20547; CHEBI:2034

CHEMBL601

CID137

CPD000857229

D07567

DAP000314

DB00855

delta-ALA

delta-Aminolevulinic acid

delta-Aminolevulinic acid hydrochloride

DivK1c_006954

EINECS 203-414-1

Gliolan

I14-10101

KBio1_001898

KBio2_002062

KBio2_004630

KBio2_007198

KBio3_002627

KBioGR_001176

KBioSS_002062

Kerastick

Levulan

Levulan Kerastick

Levulan, ALA

Levulinic acid, 5-amino-

Levulinic acid, 5-amino- (8CI)

LMFA01100055

LS-101793

MFCD00012869

MFCD00044485

MLS001333097

MLS001333098

MolPort-001-788-423

N/A

NA

NCGC00178086-01

PD-P-506-A

Pentanoic acid, 5-amino-4-oxo-

Pentanoic acid, 5-amino-4-oxo- (9CI)

pentanoic acid, 5-amino-4-oxo-, hydrochloride

Polukeev - 0.1g - $30, 0.3g - $55, 0.6g - $75

SAM002589919

SMR000857229

SPBio_001843

SpecPlus_000858

Spectrum2_001662

Spectrum3_001654

Spectrum4_000618

Spectrum5_001505

Spectrum_001582

ST50819610

UNII-88755TAZ87

USAN)

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) -1.93 1.06 -70.69 3 4 0 85 131.131 4
Mid Mid (pH 6-8) -1.93 0.65 -44.96 2 4 -1 83 130.123 4

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.73e+02 g/l DrugBank-approved
MP 145° Matrix Scientific
MP 149-151°(dec.) Oakwood Chemical
Mp [°C] 156 - 158 Acros Organics
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Therapy antineoplastic SMDC MicroSource
Melting_Point ca 156^ dec. Alfa-Aesar
UniProt Database Links DCUP1_ARATH; DCUP1_ORYSJ; DCUP2_ARATH; DCUP2_ORYSJ; DCUP_ACIAC; DCUP_ACIAD; DCUP_ACIB3; DCUP_ACIB5; DCUP_ACIBC; DCUP_ACIBS; DCUP_ACIBT; DCUP_ACIBY; DCUP_ACIC1; DCUP_ACICJ; DCUP_ACIET; DCUP_ACISJ; DCUP_ACTP2; DCUP_ACTP7; DCUP_ACTPJ; DCUP_ACTSZ; DCUP_AERS4 ChEBI
PUBCHEM_PATENT_ID EP0845457A1; US5945564; WO1997003042A1 IBM Patent Data
Patent Database Links EP1510225; EP1650315; EP1731500; EP1741792; EP1743621; EP1878421; EP1938801; US2001051743; US2002183386; US2004106679; US2007196272; US2007203027; US2007218465; US2007231352; US2007249716; US2007249721; US2008057068; US2008064752; US2008076828; US20082925 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : O-3937; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE FINE CRYSTALS WITH LUMPS NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Reactome Database Links REACT_9430; REACT_9454; REACT_9463 ChEBI
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: O-3937; SUPPLIER_COMMENTS: WHITE FINE CRYSTALS WITH LUMPS NIH Clinical Collection via PubChem
Patent Database Links US2005107471; US2007218465 ChEBI
Hazard XI: Irritant Acros Organics
Purity ¡Ý98% APIChem

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Heme biosynthesis
Heme synthesis

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

No pre-computed analogs available. Try a structural similarity search.