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CHEBI:3305 - Calcimycin

ChEBI IDCHEBI:3305
ChEBI NameCalcimycin
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC29H37N3O6
Net Charge0
Average Mass523.630
Monoisotopic Mass523.26824
SMILESCNc1ccc2oc(C[C@@H]3OC4(CC[C@@H]3C)O[C@H](C(C)C(=O)c3cccn3)[C@H](C)C[C@H]4C)nc2c1C(=O)O
InChIInChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16+,17+,18?,22-,27-,29?/m0/s1
InChIKeyHIYAVKIYRIFSCZ-CVXKHCKVSA-N
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).
ChEBI Ontology
Outgoing Relation(s)
Calcimycin (CHEBI:3305) is a aminobenzoic acid (CHEBI:22495)
Synonyms  Source
CalcimycinKEGG COMPOUND
Ionophore A23187KEGG COMPOUND
Manual XrefsDatabases
C11309KEGG COMPOUND
LSM-22620LINCS
Registry NumbersSources
CAS:52665-69-7KEGG COMPOUND