caloxetic acid (CHEBI:759901)

CHEBI:759901 - caloxetic acid

Formula	C23H31N3O11.Ca
Net Charge	0
Average Mass	565.589
Monoisotopic Mass	565.15845
SMILES	CCOc1ccc(C[C@@H](CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)O)cc1.[Ca+2]
InChI	InChI=1S/C23H33N3O11.Ca/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+2/p-2/t17-;/m0./s1
InChIKey	GWFCZKWFPVVILX-LMOVPXPDSA-L

ChEBI Ontology

Outgoing Relation(s)
	caloxetic acid (CHEBI:759901) has functional parent hexacarboxylic acid (CHEBI:59359)
	caloxetic acid (CHEBI:759901) is a organooxygen compound (CHEBI:36963)