PEPSIN (HOG STOMACH)

General Information

Chemical Names:	PEPSIN (ACID PROTEINASE) COMPOSED OF PEPSIN A (MAJOR COMPONENT), PEPSIN B AND PEPSIN C (EC 3.4.23.1, EC 3.4.23.2 AND EC 3.4.23.3)
CAS number:	9001-75-6 (PEPSIN)
Functional Class:	Food Additives ENZYME_PREPARATION

From apps.who.int

Evaluations

Evaluation year:	1971
ADI:	NOT LIMITED
Meeting:	15
Specs Code:	N
Comments:	Use limited by good manufacturing practice
Report:	NMRS 50/TRS 488-JECFA 15/11
Tox Monograph:	NOT PREPARED
Specification:	FAS 2/NMRS 50B-JECFA 15/8. N; COMPENDIUM/1069; FAO JECFA Monographs 1 vol.3/33

From apps.who.int

Computed Descriptors

2D Structure
CID	2724224
IUPAC Name	diazanium;2,3-dihydroxybutanedioate
InChI	InChI=1S/C4H6O6.2H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);2*1H3
InChI Key	NGPGDYLVALNKEG-UHFFFAOYSA-N
Canonical SMILES	C(C(C(=O)[O-])O)(C(=O)[O-])O.[NH4+].[NH4+]
Molecular Formula	C4H12N2O6
Wikipedia	ammonium tartrate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	184.148
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Complexity	123.0
CACTVS Substructure Key Fingerprint	A A A D c c B j O A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A Q C A A A C B S g g A I A C A A A A g A I A A C Q C A I A A A A A A A A A A A F A A A A B E B Q A A A A A Q A A F I A A B A A B D A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	123.0
Monoisotopic Mass	184.07
Exact Mass	184.07
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	12
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Hydroxy acids and derivatives
Subclass	Beta hydroxy acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Beta hydroxy acids and derivatives
Alternative Parents	Secondary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic nitrogen compounds Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Short-chain hydroxy acids and derivatives Carboxylic acids Organic salts 1,2-diols Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

From ClassyFire