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CHEBI:31924 - Novobiocin sodium

Default Structure
ChEBI IDCHEBI:31924
ChEBI NameNovobiocin sodium
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H35N2O11.Na
Net Charge0
Average Mass634.614
Monoisotopic Mass634.21385
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.[Na+]
InChIInChI=1S/C31H36N2O11.Na/c1-14(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;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1
InChIKeyWWPRGAYLRGSOSU-RNROJPEYSA-M
ChEBI Ontology
Outgoing Relation(s)
Novobiocin sodium (CHEBI:31924) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Novobiocin sodiumKEGG COMPOUND
Manual XrefsDatabases
C12609KEGG COMPOUND
D01209KEGG DRUG
Registry NumbersSources
CAS:1476-53-5KEGG COMPOUND