CHYMOSIN B FROM ASPERGILLUS NIGER VAR. AWAMORI CONTAINING CALF PROCHYMOSIN B GENE

Relevant Data

Food Additives Approved in the United States

Chymosin enzyme preparation from Trichoderma reesei expressing the bovine prochymosin B gene [show][hide]

Mainterm Chymosin enzyme preparation from Trichoderma reesei expressing the bovine prochymosin B gene

CAS number 9001-98-3

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General Information

Chemical Names:	(EC 3.4.23.4)
CAS number:	9001-98-3
Functional Class:	Food Additives ENZYME_PREPARATION

From apps.who.int

Evaluations

Evaluation year:	1990
ADI:	NOT SPECIFIED
Meeting:	37
Specs Code:	N,T
Report:	TRS 806-JECFA 37/13
Tox Monograph:	FAS 28-JECFA 37/98
Specification:	COMPENDIUM ADDENDUM 7/FNP 52 Add.7/19 (1999); FAO JECFA Monographs 1 vol.1/393

From apps.who.int

Computed Descriptors

2D Structure
CID	5913459
IUPAC Name	sodium;4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate
InChI	InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,13,16H,(H,17,18,19);/q;+1/p-1/b14-11-;
InChI Key	RBENMCXVZFIKFK-IRIIKGHASA-M
Canonical SMILES	C1=CC(=CC=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)[O-].[Na+]
Molecular Formula	C12H9N2NaO5S
Wikipedia	Chrysoine resorcinol

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	316.263
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Complexity	583.0
CACTVS Substructure Key Fingerprint	A A A D c c B z O C B A A A A A A A A A A A A A A A A A A A A A A A A w Q A A A A A A A A A A B A A A A H g Q Y C A A A C A y B 0 A A w w Y B i A g K o A a R y Q H T S B E A g I g A Y i B g Q Z N g I I C K A k Z G A Y A B g 2 A A I y Y c Q A A A A A A Q A A A A A A A A A C A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	127.0
Monoisotopic Mass	316.013
Exact Mass	316.013
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	21
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonic acids and derivatives
Alternative Parents	Sulfonyls Vinylogous acids Hydrocarbon derivatives Enols Organic oxides Organic zwitterions Hydrazones 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Organosulfonic acids Cyclic ketones Organic sodium salts Phenylhydrazines
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous acid - Cyclic ketone - Ketone - Organic alkali metal salt - Hydrazone - Enol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic oxide - Organic sodium salt - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.

From ClassyFire