UCSF

ZINC00895486

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 7 Yes

Popular Name: Sodium (R)-3-hydroxybutanoate Sodium (R)-3-hydroxybutanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 127604-16-4 , 13613-65-5 , 150-83-4 , 300-85-6 , 6168-83-8 , 625-71-8 , 625-72-9 , [13613-65-5] , [150-83-4] , [300-85-6] , [625-71-8] , [625-72-9]

Other Names:

"DL-3-Hydroxybutyric acid sodium salt, 99%"

(+/-)-Sodium 3-hydroxybutyrate

(-)-3-hydroxybutyric acid

(1)-3-Hydroxybutyric acid; 3 HBA; 3-HYDROXYBUTYRIC ACID; 3-Hydroxybutanoic acid; 3-Hydroxybuttersaeure; Butanoic acid, 3-hydroxy-; Butyric acid, 3-hydroxy- (8CI); DL-beta-Hydroxybutyric acid; beta-Hydroxy-n-butyric acid; beta-Hydroxybuttersaeure; beta-Hyd

(±)-Sodium 3-hydroxybutyrate

(R)-()-3-Hydroxybutyric acid sodium salt

(R)-(-)-3-hydroxybutyric acid sodium salt

(R)-(-)-b-Hydroxybutyrate; (R)-(-)-b-Hydroxybutyric acid; (R)-(-)-beta-Hydroxybutyrate; (R)-(-)-beta-Hydroxybutyric acid; (R)-3-Hydroxybutanoate; (R)-3-Hydroxybutanoic acid; (R)-3-Hydroxybutyrate; 3-D-Hydroxybutyrate; 3-D-Hydroxybutyric acid; 3-delta-Hydr

(R)-(-)-b-Hydroxybutyrate;(R)-(-)-b-Hydroxybutyric acid;(R)-(-)-beta-Hydroxybutyrate;(R)-(-)-beta-Hydroxybutyric acid;(R)-3-Hydroxybutanoate;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyrate;3-D-Hydroxybutyrate;3-D-Hydroxybutyric acid;3-delta-Hydroxybutyra

(R)-(-)-beta-hydroxybutyrate; (R)-3-Hydroxybutanoate; (R)-3-hydroxybutanoate; 3-D-hydroxybutyrate; D-3-hydroxybutyrate; D-beta-hydroxybutyrate

(R)-(-)-beta-hydroxybutyric acid; 3-D-hydroxybutyric acid; D-3-hydroxybutyric acid

(R)-3-Hydroxy-butyric acid

(R)-3-Hydroxybutanoate; (R)-3-Hydroxybutanoic acid; (R)-3-Hydroxybutyric acid; 625-72-9; C01089; D-beta-Hydroxybutyric acid

(R)-3-Hydroxybutanoic acid

(R)-3-Hydroxybutanoicacid

(R)-3-hydroxybutyrate

(R)-3-Hydroxybutyric acid

(R)-3-hydroxybutyric acid sodium

(S)-3-HYDROXYBUTYRIC ACID SODIUM SALT

(S)-3-Hydroxybutyricacid

-3-HYDROXYBUTYRICACID,SODIUMSALT

3-(R)-Hydroxybutyric acid

3-hydroxy-butanoic acid

3-hydroxybutanoic acid

3-hydroxybutyrate

3-Hydroxybutyrate; beta-hydroxybutyrate; beta-hydroxybutyric acid

3-Hydroxybutyric acid

3-Hydroxybutyric acid, 95%, tech.

3-Hydroxybutyric acid, 98%

3-Hydroxybutyric acid, tech.

3-HYDROXYBUTYRICACID

3-OH butyrate; 3-OH-butyrate; beta-hydroxy-n-butyrate; beta-hydroxybutanoate

300-85-6; D-3-hydroxy-butyrate; beta-hydroxybutyrate

CHEBI:18666; CHEBI:322

D(-)-beta-hydroxy butyric acid

d-3-hydroxybutyric acid

DL-3-Hydroxy-n-butyric acid

DL-3-Hydroxybutyric Acid (contains Polymolecular esterification product)

DL-3-Hydroxybutyric acid sodium salt

DL-3-Hydroxybutyric acid, monosodium salt

DL-3-Hydroxybutyric acid, sodium salt

DL-3-Hydroxybutyric acid, sodium salt, 99%

DL-b-Hydroxybutyrate sodium salt

MFCD00004546

MFCD00016716

MFCD00066257

MFCD00077788

n / a

NA

QB-4528

Sodium 3-hydroxybutanoate

Sodium 3-hydroxybutyrate

Sodium 3-hydroxybutyrate, 98%

Sodium(R)-3-hydroxybutanoate

Sodium(S)-3-hydroxybutyrate

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) -0.44 0.9 -47.09 1 3 -1 60 103.097 2 ↓
Hi High (pH 8-9.5) 3.42 9.8 -48.58 2 5 1 55 370.517 4 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 118 - 120 (p=2 torr) Acros Organics
Boiling_Point 130?/12mm Alfa-Aesar
Boiling_Point 130°/12mm Alfa-Aesar
Mp [°C] 161 - 167 Acros Organics
Melting_Point 161-167? Alfa-Aesar
Melting_Point 161-167° Alfa-Aesar
Melting_Point 36-39? Alfa-Aesar
Melting_Point 36-39° Alfa-Aesar
Purity 95% Fluorochem
Patent Database Links EP1586325; EP1980235; US2008118963 ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
UniProt Database Links HBOH1_RALPI; HBOH2_RALPI; HBOH_ACIAC; HBOH_AZOSB; HBOH_BURCA; HBOH_BURCH; HBOH_BURCM; HBOH_BURM7; HBOH_BURM9; HBOH_BURMA; HBOH_BURMS; HBOH_BURP0; HBOH_BURP1; HBOH_BURP6; HBOH_BURPS; HBOH_BURS3; HBOH_BURTA; HBOH_BURVG; HBOH_BURXL; HBOH_CUPNH; HBOH_CUPPJ; H ChEBI
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_1493; REACT_631 ChEBI
Reactome Database Links REACT_20553 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
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
Patent Database Links US2007197645; US2007197665; US2007208081; US2007225252; US2008249173 ChEBI
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Proton-coupled monocarboxylate transport
Synthesis of Ketone Bodies
Utilization of Ketone Bodies

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

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