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Name |
Succinic Acid
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Molecular Formula | C4H6O4 | |
IUPAC Name* |
butanedioic acid
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SMILES |
C(CC(=O)O)C(=O)O
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InChI |
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
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InChIKey |
KDYFGRWQOYBRFD-UHFFFAOYSA-N
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Synonyms |
succinic acid; butanedioic acid; 110-15-6; Amber acid; Wormwood acid; Asuccin; Dihydrofumaric acid; Katasuccin; 1,2-Ethanedicarboxylic acid; Bernsteinsaure; ethylenesuccinic acid; 1,4-Butanedioic acid; Wormwood; Succinicum acidum; Butandisaeure; Acidum succinicum; Butanedionic acid; Kyselina jantarova; Butane diacid; Ethylene dicarboxylic acid; Bernsteinsaure [German]; Kyselina jantarova [Czech]; Ammonium succinate; HSDB 791; succinic-acid; MFCD00002789; succ; NSC 106449; AI3-06297; AB6MNQ6J6L; NSC-106449; E363; FEMA NO. 4719; CHEBI:15741; NSC25949; SuccinicAcid(IndustrialGrade&FoodGrade); NCGC00159372-02; NCGC00159372-04; Succinellite; acide succinique; Sal succini; DSSTox_CID_3602; WLN: QV2VQ; DSSTox_RID_77102; DSSTox_GSID_23602; 26776-24-9; SIN; Ethylene succinic acid; Ethanedicarboxylic acid; Bernsteinsaeure; sodium succinate (anhydrous); succinate, 9; acide butanedioique; CAS-110-15-6; Succinic acid [NF]; Succinic acid (8CI); Butanedioic acid (9CI); EINECS 203-740-4; UNII-AB6MNQ6J6L; BRN 1754069; Dihydrofumarate; Succinicate; Butanedioic acid diammonium salt; 1cze; Nat.Succinic Acid; 1,4-Butanedioate; Succinic acid, 6; Succinic acid, FCC; Succinic Acide,(S); Succinic Acid (SA); 1,4-Butandioic Acid; Succinic acid, 99%; Succinic acid, natural; 4lh2; 1,2-Ethanedicarboxylate; suc; Succinic acid, ACS grade; bmse000183; bmse000968; CHEMBL576; EC 203-740-4; SUCCINIC ACID [II]; SUCCINIC ACID [MI]; HOOC-CH2-CH2-COOH; SUCCINIC ACID [FCC]; A 12084; SUCCINIC ACID [HSDB]; SUCCINIC ACID [INCI]; 4-02-00-01908 (Beilstein Handbook Reference); SUCCINIC ACID [VANDF]; SUCCINIC ACID [MART.]; GTPL3637; SUCCINIC ACID [USP-RS]; SUCCINIC ACID [WHO-DD]; DTXSID6023602; SUCCINICUM ACIDUM [HPUS]; BDBM26121; Succinic acid (Butanedioic acid); HMS3885O04; ZINC895030; HY-N0420; STR02803; Tox21_111612; Tox21_201918; Tox21_303247; BBL002473; LMFA01170043; NSC-25949; NSC106449; s3791; STK387105; SUCCINIC ACID [USP IMPURITY]; Succinic acid, >=99%, FCC, FG; Succinic acid, BioXtra, >=99.0%; AKOS000118899; Tox21_111612_1; CCG-266069; DB00139; NCGC00159372-03; NCGC00159372-05; NCGC00159372-06; NCGC00257092-01; NCGC00259467-01; Succinic acid, ACS reagent, >=99.0%; BP-21128; Succinic acid, ReagentPlus(R), >=99.0%; ADIPIC ACID IMPURITY B [EP IMPURITY]; CS-0008946; FT-0652509; FT-0773657; S0100; Succinic acid, p.a., ACS reagent, 99.0%; Succinic acid, SAJ first grade, >=99.0%; EN300-17990; SUCCINIC ACID HIGH PURITY GRADE 2.5KG; Succinic acid, purum p.a., >=99.0% (T); Succinic acid, SAJ special grade, >=99.5%; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); A14596; C00042; D85169; Succinic acid, Vetec(TM) reagent grade, 98%; AB01332192-02; Q213050; SR-01000944556; J-002386; SR-01000944556-2; Z57127453; F2191-0239; 37E8FFFB-70DA-4399-B724-476BD8715EF0; Succinic acid, certified reference material, TraceCERT(R); Succinic acid, puriss. p.a., ACS reagent, >=99.5% (T); Succinic acid, United States Pharmacopeia (USP) Reference Standard; Succinic acid, matrix substance for MALDI-MS, >=99.5% (T), Ultra pure; Succinic acid, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=99.0%; Succinic acid, BioReagent, suitable for cell culture, suitable for insect cell culture; Succinic Acid, Pharmaceutical Secondary Standard; Certified Reference Material
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CAS | 110-15-6 | |
PubChem CID | 1110 | |
ChEMBL ID | CHEMBL576 |
Chemical Classification: |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference |
Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name | |
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Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name |
Molecular Weight: | 118.09 | ALogp: | -0.6 |
HBD: | 2 | HBA: | 4 |
Rotatable Bonds: | 3 | Lipinski's rule of five: | Accepted |
Polar Surface Area: | 74.6 | Aromatic Rings: | 0 |
Heavy Atoms: | 8 | QED Weighted: | 0.56 |
Caco-2 Permeability: | -5.903 | MDCK Permeability: | 0.00287197 |
Pgp-inhibitor: | 0 | Pgp-substrate: | 0.009 |
Human Intestinal Absorption (HIA): | 0.021 | 20% Bioavailability (F20%): | 0.002 |
30% Bioavailability (F30%): | 0.061 |
Blood-Brain-Barrier Penetration (BBB): | 0.254 | Plasma Protein Binding (PPB): | 31.73% |
Volume Distribution (VD): | 0.253 | Fu: | 57.44% |
CYP1A2-inhibitor: | 0.005 | CYP1A2-substrate: | 0.041 |
CYP2C19-inhibitor: | 0.026 | CYP2C19-substrate: | 0.042 |
CYP2C9-inhibitor: | 0.006 | CYP2C9-substrate: | 0.883 |
CYP2D6-inhibitor: | 0.013 | CYP2D6-substrate: | 0.12 |
CYP3A4-inhibitor: | 0.011 | CYP3A4-substrate: | 0.005 |
Clearance (CL): | 4.976 | Half-life (T1/2): | 0.842 |
hERG Blockers: | 0.004 | Human Hepatotoxicity (H-HT): | 0.123 |
Drug-inuced Liver Injury (DILI): | 0.06 | AMES Toxicity: | 0.021 |
Rat Oral Acute Toxicity: | 0.007 | Maximum Recommended Daily Dose: | 0.011 |
Skin Sensitization: | 0.147 | Carcinogencity: | 0.054 |
Eye Corrosion: | 0.991 | Eye Irritation: | 0.985 |
Respiratory Toxicity: | 0.024 |
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NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
ENC000735 | ![]() |
0.536 | D06VNK | ![]() |
1.000 | ||
ENC000075 | ![]() |
0.486 | D0Y7ZD | ![]() |
0.536 | ||
ENC000677 | ![]() |
0.458 | D0O4GY | ![]() |
0.517 | ||
ENC000795 | ![]() |
0.455 | D00ENY | ![]() |
0.500 | ||
ENC000044 | ![]() |
0.400 | D0E4WR | ![]() |
0.486 | ||
ENC000018 | ![]() |
0.400 | D0EP8X | ![]() |
0.407 | ||
ENC000070 | ![]() |
0.379 | D0Z0MG | ![]() |
0.395 | ||
ENC001325 | ![]() |
0.375 | D0X5SI | ![]() |
0.371 | ||
ENC000024 | ![]() |
0.368 | D0W5BS | ![]() |
0.350 | ||
ENC005253 | ![]() |
0.364 | D01JIA | ![]() |
0.324 |