Compound: pantothenic acid
SMILES: O=C(NCCC(=O)O)[C@H](O)C(CO)(C)C
InChIKey: GHOKWGTUZJEAQD-ZETCQYMHSA-N
Synonyms: pantothenic acid, D-pantothenic acid, 79-83-4, vitamin B5, Chick antidermatitis factor, (+)-Pantothenic acid, Vitamin B-5, Kyselina pantothenova, D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine, Pantothenic acid (d), 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid, beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-, N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine, (D,+)-N(alpha-gamma-Dihydroxy-beta,beta-dimethylbutyryl)-beta-alanine, 19F5HK2737, DTXSID9023417, CHEBI:46905, B 5, Vitamin, CHEBI:7916, Cantopal, Calc pantoth, 3-(((2R)-2,4-dihydroxy-3,3-dimethylbutanoyl)amino)propanoic acid, 3-(((2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl)amino)propanoic acid, 3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid, Pantothenate, Zinc, B5, Vitamin, Vitamin B 5, Pantothenate, Calcium, PureVita Vitamin B5, RefChem:6101, DTXCID203417, CHEBI:176840, beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,(R)-, 201-229-0, 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid, beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, PANTOTHENOIC ACID, (D)-(+)-Pantothenic acid, Kyselina pantothenova [Czech], HSDB 1020, Pantothenic Acid [BAN], (R)-pantothenic acid, BRN 1727064, N-[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-beta-alanine, N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE, MFCD00020513, 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid, Pantothenic acid (BAN), (+)-Pantothenate, (+)-(R)-3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propanoic acid, 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid, Pantothenic acid, D-, (R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, N-[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-ss-alanine, d-pantothenate, PAU, EINECS 201-229-0, Pantothenic Acid (Technical Grade, Contains Lactone), pantothenic-acid, UNII-19F5HK2737, delta-Pantothenate, delta-Pantothenic acid, D-(+)-pantothenic acid, (D)-(+)-Pantothenate, bmse000287, SCHEMBL5436, CHEMBL1594, VITAMIN B5 [VANDF], 4-04-00-02569 (Beilstein Handbook Reference), PANTOTHENIC ACID [MI], Pantothenic acid, D- (8CI), GTPL4668, orb1300732, Pantothenic acid (pantothenate), PANTOTHENIC ACID [HSDB], PANTOTHENIC ACID [VANDF], ()-pantothenate;()-vitamin B5, PANTOTHENIC ACID [MART.], VITAMIN B5 [GREEN BOOK], PANTOTHENIC ACID [WHO-DD], GLXC-08188, HMS2090P08, HMS3656K08, HY-B0430, Pantothenic acid, (*Calcium salt*), .beta.-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-, .beta.-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, EBC-26228, D-Pantothenic acid - Technical grade, AKOS016010488, PANTOTHENIC ACID [ORANGE BOOK], DB01783, MSK001412-100W, NCGC00183031-08, NCGC00346610-01, AS-75446, FP145946, SY046441, SBI-0206933.P001, NS00069969, SW220291-1, C00864, D07413, E83797, EN300-113766, D-Pantothenic acid Solution in Water, 100ug/mL, BRD-K29392254-001-02-2, BRD-K29392254-001-03-0, BRD-K29392254-236-01-6, Q63390527, D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanine, (R)-3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propionic Acid, 450B5472-A689-4BCA-9BC1-58691B72D00F, N-[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-|_-alanine, N-[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-|A-alanine, 3-((R)-2,4-Dihydroxy-3,3-dimethyl-butyrylamino)-propionic acid, 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionic acid, beta-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, b-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]- (9CI), beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)- (9CI), N-((2R)-2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-.BETA.-ALANINE
Theoretical properties:
molecular_formula: C9H17NO5
molecular_weight: 219.23 g/mol
exact_mass: 219.11067264 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 6
heavy_atom_count: 15
topological_polar_surface_area: 107 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow viscous oil
color: Yellow viscous oil
melting_point: 195ºC (D-Calcium Pantothenate salt)
solubility: Soluble
Descriptions:
pubchem: (R)-pantothenic acid is a pantothenic acid having R-configuration. It has a role as a geroprotector, an antidote to curare poisoning and a human blood serum metabolite. It is a vitamin B5 and a pantothenic acid. It is a conjugate acid of a (R)-pantothenate.
chebi: A pantothenic acid having <i>R</i>-configuration.
chembl: PANTOTHENIC ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Pantothenic acid (vitamin B5) is a B vitamin and an essential nutrient. All animals need pantothenic acid in order to synthesize coenzyme A (CoA), which is essential for cellular energy production and for the synthesis and degradation of proteins, carbohydrates, and fats.
Pantothenic acid is the combination of pantoic acid and β-alanine. Its name comes from the Greek πάντοθεν pantothen, meaning "from everywhere", because pantothenic acid, at least in small amounts, is in almost all foods. Deficiency of pantothenic acid is very rare in humans. In dietary supplements and animal feed, the form commonly used is calcium pantothenate, because chemically it is more stable, and hence makes for longer product shelf-life, than sodium pantothenate and free pantothenic acid.