| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 8 | Yes |
Popular Name: Succinic acid Succinic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10030-90-7 , 1030-27-9 , 110-15-6 , 14396-13-5 , 150-90-3 , 20846-91-7 , 2226-88-2 , 2922-54-5 , 33460-47-8 , 6106-21-4 , 6363-03-7 , 676-47-1 , [110-15-6] , [150-90-3] , [15574-09-1]
"Sodium succinate dibasic hexahydrate, 99%"
1,4-BUTANEDIOIC ACID (SUCCINIC ACID)
10030-90-7; D08015; Ferplex (TN); Ferrous succinate
110-15-6; butanedioic acid; ethylenesuccinic acid; suc; succ; succinate; succinic acid
110-15-6; Butanedionic acid; C00042; Ethylenesuccinic acid; Succinate; Succinic acid
37E8FFFB-70DA-4399-B724-476BD8715EF0
4-02-00-01908 (Beilstein Handbook Reference)
Amber acid, Butanedioic acid, Ethylenesuccinic acid
Butanedioic acid diammonium salt
Butanedioic acid, conjugate base; HOOC-CH2-CH2-COO(-); hydrogen succinate
CHEBI:45639; CHEBI:22943; CHEBI:9304; CHEBI:26807
Disodium succinate hexahydrate
InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8
N,N'-ethylenediamine disuccinic acid
Sodium Succinate (FDA); Succinic Acid (NF)
Sodium succinate hexahydrate, 99%
| 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) | -0.65 | 3.54 | -101.06 | 0 | 4 | -2 | 80 | 116.072 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.65 | 1.56 | -42.51 | 1 | 4 | -1 | 77 | 117.08 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 120? -6H2O | Alfa-Aesar |
| Melting_Point | 120° -6H2O | Alfa-Aesar |
| MP | 14 - 16 | Enamine Building Blocks |
| MP | 14...16 | Enamine Building Blocks |
| Mp [°C] | 185 - 190 | Acros Organics |
| M.P | 185 °C | Indofine |
| Melting_Point | 186-188? | Alfa-Aesar |
| Melting_Point | 186-188° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 2.11e+02 g/l | DrugBank-nutriceuticals |
| BP [°C] | 235 | Acros Organics |
| Boiling_Point | 235? | Alfa-Aesar |
| Boiling_Point | 235° | Alfa-Aesar |
| UniProt Database Links | 4HDB_CLOK5; AAE13_ARATH; ACEA1_SOYBN; ACEA2_SOYBN; ACEA_ACICA; ACEA_ARATH; ACEA_ASHGO; ACEA_ASPFU; ACEA_BACHD; ACEA_BRANA; ACEA_CANAX; ACEA_CANGA; ACEA_CANTR; ACEA_COCIM; ACEA_COPC7; ACEA_COPCI; ACEA_COREF; ACEA_CORGL; ACEA_CUCMA; ACEA_CUCSA; ACEA_CYBJA | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 99% | Fluorochem |
| Target | Cytochrome P450 3A4(P08684)&Interleukin-8(P10145) | Herbal Ingredients Targets |
| Patent Database Links | EP0826675; EP0827954; EP0842936; EP0848991; EP0857725; EP0869165; EP0881203; EP0916338; EP0937457; EP0962459; EP0964029; EP1038864; EP1067174; EP1077080; EP1078925; EP1095939; EP1118611; EP1123936; EP1181932; EP1234514; EP1236754; EP1298126; EP1310492; EP | ChEBI |
| Patent Database Links | EP1878722; US2005004148; US2006264506; US2006281759 | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| 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_120822; REACT_120825; REACT_120853; REACT_120884; REACT_120885; REACT_120945; REACT_120973; REACT_121152; REACT_121198; REACT_121242; REACT_1435; REACT_15538; REACT_163985; REACT_1667; REACT_169386; REACT_1696; REACT_17021; REACT_172709; REACT_1796 | 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 |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGLN1-2-E | Egl Nine Homolog 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.97 | Binding ≤ 10μM |
| Z80583-4-O | Vero (Kidney Cells) (cluster #4 Of 7), Other | Other | 1 | 1.58 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGLN1_HUMAN | Q9GZT9 | Egl Nine Homolog 1, Human | 3000 | 0.97 | Binding ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 1.3 | 1.56 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ABH2 mediated Reversal of Alkylation Damage | |
| ABH3 mediated Reversal of Alkylation Damage | |
| Alpha-oxidation of phytanate | |
| Carnitine synthesis | |
| Citric acid cycle (TCA cycle) |
|
| Class A/1 (Rhodopsin-like receptors) | |
| Collagen biosynthesis and modifying enzymes | |
| Condensation of Prophase Chromosomes | |
| Degradation of GABA |
|
| DNA Damage Reversal | |
| G alpha (i) signalling events | |
| HDMs demethylate histones | |
| Oxidative Stress Induced Senescence | |
| Oxygen-dependent asparagine hydroxylation of Hypoxia-inducible Factor Alpha | |
| Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha | |
| Sodium-coupled sulphate, di- and tri-carboxylate transporters | |
| TET1,2,3 and TDG demethylate DNA | |
| The tricarboxylic acid cycle | |
| Utilization of Ketone Bodies |
| Description | Species |
|---|---|
| Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha |
No pre-computed analogs available. Try a structural similarity search.