Terminology Service for NFDI4Health
novobiocin(1-)
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http://purl.obolibrary.org/obo/CHEBI_71339
An organic anion that is the conjugate base of novobiocin.
Term info
Label
novobiocin(1-)
Subsets
3_STAR
charge
-1
formula
C31H35N2O11
has obo namespace
chebi_ontology
has related synonym
novobiocin anion, novobiocin
id
CHEBI:71339
inchi
InChI=1S/C31H36N2O11/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)/p-1/t23-,25+,26-,29-/m1/s1
inchikey
YJQPYGGHQPGBLI-KGSXXDOSSA-M
mass
611.61640
monoisotopicmass
611.22463
smiles
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
Term relations
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