NPs Basic Information

Name
Succinic Acid
Molecular Formula C4H6O4
IUPAC Name*
butanedioic acid
SMILES
C(CC(=O)O)C(=O)O
InChI
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey
KDYFGRWQOYBRFD-UHFFFAOYSA-N
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
CAS 110-15-6
PubChem CID 1110
ChEMBL ID CHEMBL576
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Organic acids and derivat
      • Class: Carboxylic acids and deri
        • Subclass: Dicarboxylic acids and de
          • Direct Parent: Dicarboxylic acids and de

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

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

NPs ADMET Properties*

ADMET: Absorption

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

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.254 Plasma Protein Binding (PPB): 31.73%
Volume Distribution (VD): 0.253 Fu: 57.44%

ADMET: Metabolism

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

ADMET: Excretion

Clearance (CL): 4.976 Half-life (T1/2): 0.842

ADMET: Toxicity

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
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
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
*Note: the compound similarity was calculated by RDKIT.