Chemical Entities of Biological Interest Ontology

Last uploaded: December 1, 2024
Jump to:
Preferred Name

Novobiocin sodium
Synonyms

Novobiocin sodium
ID

http://purl.obolibrary.org/obo/CHEBI_31924
charge

0
database_cross_reference

KEGG:D01209

CAS:1476-53-5

KEGG:C12609
formula

C31H35N2O11.Na
has_exact_synonym

Novobiocin sodium
has_obo_namespace

chebi_ontology
id

CHEBI:31924
in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR
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
label

Novobiocin sodium
mass

634.607
monoisotopicmass

634.21385
notation

CHEBI:31924
prefLabel

Novobiocin sodium
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
treeView

http://purl.obolibrary.org/obo/CHEBI_50860
subClassOf

http://purl.obolibrary.org/obo/CHEBI_50860
Add comment
Add proposal
Delete Subject Author Type Created
No notes to display