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CHEBI:755397 - novobiocin calcium

Default Structure
ChEBI IDCHEBI:755397
ChEBI Namenovobiocin calcium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC31H35N2O11.C31H35N2O11.Ca
Net Charge0
Average Mass1263.326
Monoisotopic Mass1262.41076
SMILESCO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Ca+2]
InChIInChI=1S/2C31H36N2O11.Ca/c2*1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h2*7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;;+2/p-2/t2*23-,25+,26-,29-;/m11./s1
InChIKeyHEJBMFPJLCJWER-CWPVBXIBSA-L
ChEBI Ontology
Outgoing Relation(s)
novobiocin calcium (CHEBI:755397) is a coumarins (CHEBI:23403)
novobiocin calcium (CHEBI:755397) is a glycoside (CHEBI:24400)
Synonyms  Source
Calcium novobiocinChEMBL
Novobiocin, calcium saltChEMBL