CHEBI:31924 - Novobiocin sodium

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ChEBI Name Novobiocin sodium
ChEBI ID CHEBI:31924
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H35N2O11.Na
Net Charge 0
Average Mass 634.607
Monoisotopic Mass 634.21385
InChI InChI=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
InChIKey WWPRGAYLRGSOSU-RNROJPEYSA-M
SMILES [Na+].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
ChEBI Ontology
Outgoing Novobiocin sodium (CHEBI:31924) is a organic molecular entity (CHEBI:50860)
Synonym Source
Novobiocin sodium KEGG COMPOUND
Manual Xrefs Databases
C12609 KEGG COMPOUND
D01209 KEGG DRUG
View more database links
Registry Number Type Source
1476-53-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014