penicillin calcium (CHEBI:751376)

CHEBI:751376 - penicillin calcium

Formula	C16H17N2O4S.C16H17N2O4S.Ca
Net Charge	0
Average Mass	706.856
Monoisotopic Mass	706.14440
SMILES	[Ca+2].[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cc1ccccc1.[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cc1ccccc1
InChI	InChI=1S/2C16H18N2O4S.Ca/c21-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h23-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;;+2/p-2/t2*11-,12+,14-;/m11./s1
InChIKey	PEWXRXAGXPYMIB-ANPZCEIESA-L

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	penicillin calcium (CHEBI:751376) is a peptide (CHEBI:16670)