Succinic acid (Compound)

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ID	1890
Name	Succinic acid
Synonyms	Succinate; Butanedioic acid; Butanedioate; Dihydrofumaric acid; 1,4-Butanedioic acid; 1,2-Ethanedicarboxylic acid
Structure	MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure Structure for EE001890 (Succinic acid) 3D Structure for EE001890 (Succinic acid) 1110 -OEChem-10042218553D 14 13 0 0 0 0 0 0 0999 V2000 2.8998 -0.8740 0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 0.8812 0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 1.2670 -0.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 -1.2651 -0.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 -0.5438 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 0.5341 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9192 0.0626 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9199 -0.0620 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 -1.1857 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.1642 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.1567 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 1.1747 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 -0.4688 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7906 0.4818 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 1110 > <PUBCHEM_CONFORMER_RMSD> 0.6 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 5 4 2 3 7 6 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 10 1 -0.65 13 0.5 14 0.5 2 -0.65 3 -0.57 4 -0.57 5 0.06 6 0.06 7 0.66 8 0.66 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 3 > <PUBCHEM_PHARMACOPHORE_FEATURES> 6 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 1 3 7 anion 3 2 4 8 anion > <PUBCHEM_HEAVY_ATOM_COUNT> 8 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 0000045600000001 > <PUBCHEM_MMFF94_ENERGY> 5.1317 > <PUBCHEM_FEATURE_SELFOVERLAP> 30.564 > <PUBCHEM_SHAPE_FINGERPRINT> 12897270 3 18410574002336608164 12932764 1 17385997360458373475 14325111 11 18410574010952916416 14390081 3 18341328972064869001 19973954 147 18410014368119428041 23552423 10 18260830422907385134 29004967 10 16558755619720695826 3248919 1 17274830142168174567 5460574 1 9295291642183417858 > <PUBCHEM_SHAPE_MULTIPOLES> 141.16 4.43 1.15 0.56 0 0 0 0 -0.01 0 0 0 0 -0.01 > <PUBCHEM_SHAPE_SELFOVERLAP> 265.946 > <PUBCHEM_SHAPE_VOLUME> 86.9 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
Description	Major end-product of bacterial metabolism in the large bowel (Cummings 1997). Intermediate in the Krebs cycle.
Classification	Compounds > Chemical entities > Organic compounds > Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives
CAS number	110-15-6
PubChem ID	1110
ChEBI ID	15741
FooDB ID	FDB001931
HMDB ID	HMDB0000254

Chemical data

MolDBi data

IUPAC Name	butanedioic acid
Traditional IUPAC Name	succinic acid
Formula	C4H6O4
InChI	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChI Key	KDYFGRWQOYBRFD-UHFFFAOYSA-N
Molecular weight	118.088
Exact mass	118.02660868
SMILES	OC(=O)CCC(O)=O

ClassyFire Taxonomy

Description	belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
Kingdom	Organic compounds
Super Class	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Sub Class	Dicarboxylic acids and derivatives
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	Fatty acids and conjugates Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds

Publications with Succinic acid

ID	Title	First author	Authors	Year	Journal	Volume	Issue	Pages	PubMed ID	DOI	Study design	No. of Biomarkers	No. of Intake values	No. of Concentration values	No. of Reproducibility values	No. of Correlation values	No. of Metabolomic associations	No. of Microbiota associations	No. of Cancer associations

Biomarker data

Measurements of Succinic acid in biospecimens

Concentration values

ID	Parent ID	Depth	Subject group	Population	Country	Cohort	Biomarker Time definition	Biospecimen	Analytical method	Biomarker	Biomarker detail	Measurement size	Detected (nb)	Detected (%)	Detected only?	Arithmethic mean	Arithmethic SD	Geometric mean	Geometric SD	Min	Min (detected)	Percentile_05	Percentile_10	Percentile_25	Median	Percentile_75	Percentile_90	Percentile_95	Max	Interquartile range	Mean 95% CI lower	Mean 95% CI upper	GMean 95% CI lower	GMean 95% CI upper	Unit	Converted arithmetic mean	Converted geometric mean	Converted median	Converted unit	Adjustment type	Adjusted on	Regressed on	Expressed as	Publication

Reproducibility values

ID	Excretion ID	Subject group	Population	Country	Cohort	Biomarker Time definition	Biospecimen	Analytical method	Biomarker	Biomarker detail	Arithmetic mean	Geometric mean	Median	Unit	Adjusted on	Reproducibility size	ICC	ICC 95% CI lower	ICC 95% CI upper	CV% WS	CV% BS	VAR WS	VAR BS	Publication

Associations of Succinic acid with exposures

Correlation values

ID	Intake ID	Excretion ID	Subject group	Population	Country	Cohort	Intake Time definition	Intake Assessment method	Intake	Intake detail	Supplement intakes included?	Intake Arithmetic mean	Intake Geometric mean	Intake Median	Intake Unit	Intake Adjusted on	Biomarker Time definition	Biospecimen	Analytical method	Biomarker	Biomarker detail	Biomarker Arithmetic mean	Biomarker Geometric mean	Biomarker Median	Biomarker Unit	Biomarker Adjusted on	Correlation size	Correlation type	Correlation value	Correlation 95% CI lower	Correlation 95% CI upper	Correlation p-value	Significant?	Measurement adjustment	Deattenuated?	Covariates	Publication

Metabolomic associations

ID	Intake ID	Excretion ID	Subject group	Population	Country	Cohort	No. of subjects	Intake Assessment method	Intake	Intervention dose	Biospecimen	Analytical method	Biomarker	Structural identification	Feature selection	Area under curve	Sensitivity	Specificity	PLS-DA VIP	Beta coefficient	Beta coefficient p-value	ANOVA p-value	Publication

Microbiota associations

ID	Biomarker	Experimental evidence	Organism	Biospecimen	Antibiotic	Bacterial source	Substrate	Publication

Associations of Succinic acid with cancer risk

Cancer associations

ID	Excretion ID	Subject group	Population	Country	Cohort	No. of subjects	No. of cases	No. of controls	Biospecimen	Analytical method	Biomarker	Biomarker detail	Cancer	Study design	Publication

Exposure data

Measurements of Succinic acid exposures in populations

Intake values

ID	Parent ID	Depth	Subject group	Population	Country	Cohort	Intake Time definition	Intake assessment tool	Intake food coverage	Intake time coverage	Intake Assessment method	Intake	Intake detail	Food description	Supplement intakes included?	Measurement size	Detected (nb)	Detected (%)	Detected only?	Arithmethic mean	Arithmethic SD	Geometric mean	Geometric SD	Min	Min (detected)	Percentile_05	Percentile_10	Percentile_25	Median	Percentile_75	Percentile_90	Percentile_95	Max	Interquartile range	Mean 95% CI lower	Mean 95% CI upper	GMean 95% CI lower	GMean 95% CI upper	Unit	Converted arithmetic mean	Converted geometric mean	Converted median	Converted unit	Adjustment type	Adjusted on	Regressed on	Expressed as	Publication

Associations of Succinic acid exposures with biomarkers

Correlation values

ID	Intake ID	Excretion ID	Subject group	Population	Country	Cohort	Intake Time definition	Intake Assessment method	Intake	Intake detail	Supplement intakes included?	Intake Arithmetic mean	Intake Geometric mean	Intake Median	Intake Unit	Intake Adjusted on	Biomarker Time definition	Biospecimen	Analytical method	Biomarker	Biomarker detail	Biomarker Arithmetic mean	Biomarker Geometric mean	Biomarker Median	Biomarker Unit	Biomarker Adjusted on	Correlation size	Correlation type	Correlation value	Correlation 95% CI lower	Correlation 95% CI upper	Correlation p-value	Significant?	Measurement adjustment	Deattenuated?	Covariates	Publication