mutalomycin sodium salt (CHEBI:77912)

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CHEBI:77912 - mutalomycin sodium salt

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ChEBI ID	CHEBI:77912
ChEBI Name	mutalomycin sodium salt
Stars
Definition	An organic sodium salt that is the monosodium salt of mutalomycin.
Last Modified	27 March 2014
Submitter	Steve
Downloads	Molfile

Formula	C41H69O12.Na
Net Charge	0
Average Mass	776.981
Monoisotopic Mass	776.46867
SMILES	[H][C@]1([C@H](C)[C@@]2([H])O[C@@]3(CC[C@@](C)([C@@]4([H])CC[C@@](C)([C@]5([H])O[C@@]([H])([C@@]6([H])O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5C)O4)O3)C[C@H](O)[C@H]2C)O[C@@](O)([C@H](C)C(=O)[O-])[C@H](C)[C@@H](OC)[C@H]1C.[Na+]
InChI	InChI=1S/C41H70O12.Na/c1-20-17-22(3)39(11,45)50-31(20)29-18-21(2)35(48-29)38(10)14-13-30(49-38)37(9)15-16-40(53-37)19-28(42)23(4)32(51-40)24(5)33-25(6)34(47-12)26(7)41(46,52-33)27(8)36(43)44;/h20-35,42,45-46H,13-19H2,1-12H3,(H,43,44);/q;+1/p-1/t20-,21-,22+,23+,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34-,35+,37-,38-,39-,40+,41+;/m0./s1
InChIKey	CPFAJMOABNHQTP-ZPZSSQNXSA-M

Roles Classification

Biological Roles:

ionophore A compound which can carry specific ions through membranes of cells or organelles.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	mutalomycin sodium salt (CHEBI:77912) has part mutalomycin(1−) (CHEBI:77917)
	mutalomycin sodium salt (CHEBI:77912) has role antimicrobial agent (CHEBI:33281)
	mutalomycin sodium salt (CHEBI:77912) has role ionophore (CHEBI:24869)
	mutalomycin sodium salt (CHEBI:77912) is a organic sodium salt (CHEBI:38700)

IUPAC Name
sodium (5S)-1-C-[(1S)-1-carboxylatoethyl]-2,4-dideoxy-5-{(1S)-1-[(2S,5R,7S,8R,9S)-9-hydroxy-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl}-2,4-dimethyl-3-O-methyl-β-L-arabinopyranose

Synonyms	Source
Mutalomycin sodium	ChemIDplus
11-O-Demethyl-23,27-didemethoxylonomycin A sodium	ChemIDplus
Antibiotic S 11743A sodium salt	ChemIDplus
mutalomycin monosodium salt	IUBMB
S 11743A sodium salt	ChemIDplus

Registry Numbers	Sources
Reaxys:6265169	Reaxys
CAS:62696-99-5	ChemIDplus

Citations