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Novobiocin An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189)
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pre_formula( "InChI=1/C31H36N2O11.Ca/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;/h7,9-13,23,25-26,29,34,36,38H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+2/p-1/fC31H35N2O11.Ca/h38h,33H,32H2;/q-1;m", "jqp063/20297.html" ); ?>
Molecular Formula:
C31H35CaN2O11+
InChI: InChI=1/C31H36N2O11.Ca/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;/h7,9-13,23,25-26,29,34,36,38H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+2/p-1/fC31H35N2O11.Ca/h38h,33H,32H2;/q-1;m
InChIKey: InChIKey=AEVIRJYSDZRWTN-LVAAGUGJCA
SMILES: CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)[O-])OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O.[Ca+2]
Names:
Albamycin Syrup
Benzamide, N-(7-((3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-beta-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-, calcium salt (2:1)
calcium 7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-oxan-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxo-chromen-2-olate
EINECS 224-321-2
NOVOBIOCIN CALCIUM
Novobiocin, calcium salt
303-81-1
4309-70-0
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Registries:
pre_registry_key( "InChI=1/C31H36N2O11.Ca/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;/h7,9-13,23,25-26,29,34,36,38H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+2/p-1/fC31H35N2O11.Ca/h38h,33H,32H2;/q-1;m", "InChIKey=AEVIRJYSDZRWTN-LVAAGUGJCA", "jqp063/20297.html" ); ?>
PubChem CID 20297
PubChem ID 163120
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