MUPIROCIN CALCIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII RG38I2P540
Parent Compound: MUPIROCIN

Structure

InChI Key DDHVILIIHBIMQU-YJGQQKNPSA-L
Smiles C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.O.O.[Ca+2]
InChI
InChI=1S/2C26H44O9.Ca.2H2O/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;;;/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);;2*1H2/q;;+2;;/p-2/b2*16-13+;;;/t2*17-,18-,19-,20-,21-,24+,25-,26-;;;/m00.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C52H90CaO20
Molecular Weight 1075.35
AlogP 2.59
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 16.0
Polar Surface Area 146.05
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Isoleucyl-tRNA synthetase inhibitor INHIBITOR DailyMed

Cross References

Resources Reference
ChEBI 34858
ChEMBL CHEMBL3989715
FDA SRS RG38I2P540
PubChem 5282317
SureChEMBL SCHEMBL198151
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