benzylpenicilloyl polylysine (CHEBI:59297)

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CHEBI:59297 - benzylpenicilloyl polylysine

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ChEBI ID	CHEBI:59297
ChEBI Name	benzylpenicilloyl polylysine
Stars
Definition	Poly-L-lysine (n > 40) in which 50-70% of the ε-amino groups are substituted with benzylpenicilloyl groups. It is used as a skin-testing reagent to detect immunoglobulin E antibodies in people with a history of penicillin allergy.
Last Modified	24 October 2023
Submitter	Gareth Owen
Downloads	Molfile

Formula	(C22H30N4O5S)ran.(C6H12N2O)ran.H4O2
Net Charge	0
Average Mass	626.777
Monoisotopic Mass	626.30978
SMILES	[H]N[C@H](CCCCN)C(=O)O.[H]N[C@H](CCCCNC(=O)C(NC(=O)Cc1ccccc1)[C@]1([H])N[C@@H](C(=O)O)C(C)(C)S1)C(=O)O
InChI	InChI=1S/C22H32N4O6S.C6H14N2O2/c1-22(2)17(21(31)32)26-19(33-22)16(25-15(27)12-13-8-4-3-5-9-13)18(28)24-11-7-6-10-14(23)20(29)30;7-4-2-1-3-5(8)6(9)10/h3-5,8-9,14,16-17,19,26H,6-7,10-12,23H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H,31,32);5H,1-4,7-8H2,(H,9,10)/t14-,16?,17+,19-;5-/m11/s1
InChIKey	IMPVZRLKKKXMKQ-SGDOCVTFSA-N

Wikipedia

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:	diagnostic agent A substance administered to aid diagnosis of a disease.

ChEBI Ontology

Outgoing Relation(s)
	benzylpenicilloyl polylysine (CHEBI:59297) has functional parent benzylpenicillin (CHEBI:18208)
	benzylpenicilloyl polylysine (CHEBI:59297) has role diagnostic agent (CHEBI:33295)
	benzylpenicilloyl polylysine (CHEBI:59297) is a amino acid amide (CHEBI:22475)
	benzylpenicilloyl polylysine (CHEBI:59297) is a polypeptide (CHEBI:15841)
	benzylpenicilloyl polylysine (CHEBI:59297) is a random copolymer (CHEBI:53521)
	benzylpenicilloyl polylysine (CHEBI:59297) is a thiazolidinemonocarboxylic acid (CHEBI:48875)

Synonyms	Source
Penicilloyl-polylysine	ChEBI
penicilloyl polylysine	ChemIDplus
benzylpenicilloyl-polylysine	ChEBI
benzylpenicilloyl G polylysine	ChEBI
benzylpenicilloyl-poly-L-lysine	ChEBI
BPO-PLL	ChEBI

Manual Xrefs	Databases
DB00895	DrugBank
GB1226773	Patent
US3979508	Patent
D03095	KEGG DRUG
Benzylpenicilloyl_polylysine	Wikipedia

Registry Numbers	Sources
Reaxys:29664743	Reaxys
CAS:53608-77-8	ChemIDplus

Citations