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Ionomycin

CAT: 0543-I003-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0543-I003-1MGSize:1 mg
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CAS Number
56092-81-0
Applications
Cell Culture, Microbiology.
Purity
>98% by HPLC
Molecular Formula
C41H72O9
Molecular Weight
709
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Ionomycin

Ionomycin is a very long-chain fatty acid that is docosa-10,16-dienoic acid which is substituted by methyl groups at positions 4, 6, 8, 12, 14, 18 and 20, by hydroxy groups at positions 11, 19 and 21, and by a (2',5-dimethyloctahydro-2,2'-bifuran-5-yl)ethanol group at position 21. An ionophore produced by Streptomyces conglobatus, it is used in research to raise the intracellular level of Ca2+ and as a research tool to understand Ca2+ transport across biological membranes. It has a role as a calcium ionophore and a metabolite. It is a polyunsaturated fatty acid, a very long-chain fatty acid, an enol and a cyclic ether.

CAS Number56092-81-0
PubChem CID6912226
IUPAC Name(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid
Molecular FormulaC41H72O9
Molecular Weight709.0
XLogP7.5
Topological Polar Surface Area154
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count50
Formal Charge0
Complexity1120
SMILES
C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)/C=C(/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O)\O
InChI
InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1
InChIKey
PGHMRUGBZOYCAA-ADZNBVRBSA-N
Chemical Structure
2D Structure
2D structure of Ionomycin
CAS: 56092-81-0
CID: 6912226
Formula: C41H72O9
MW: 709.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight709.0
XLogP37.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass708.51763387
Monoisotopic Mass708.51763387
Topological Polar Surface Area154 Ų
Heavy Atom Count50
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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