EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:760548 - caloxetic acid free base

Default Structure
ChEBI IDCHEBI:760548
ChEBI Namecaloxetic acid free base
Stars
Last Modified30 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC23H33N3O11
Net Charge0
Average Mass527.527
Monoisotopic Mass527.21151
SMILESCCOc1ccc(C[C@@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C23H33N3O11/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)/t17-/m0/s1
InChIKeyAQOXEJNYXXLRQQ-KRWDZBQOSA-N
ChEBI Ontology
Outgoing Relation(s)
caloxetic acid free base (CHEBI:760548) has functional parent hexacarboxylic acid (CHEBI:59359)
caloxetic acid free base (CHEBI:760548) is a organooxygen compound (CHEBI:36963)