Tautomycin

CAT: 0931-T13095-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T13095-03Size:50 mg

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CAS Number

109946-35-2

Target

Others

Related Pathways

Others

Bioactivity

Tautomycin is a potent and specific protein phosphatases 1 and 2A inhibitor (Kiapp of 0.16 nM and 0.4 nM for PP1 and PP2A, respectively), and is an antifungal antibiotic isolated from the bacterium Streptomyces verticillatus.

Smiles

[C@H](CC[C@@H]([C@@H](C(C[C@H]([C@@H]([C@H](OC(C[C@@H](O)C1=C(C)C(=O)OC1=O)=O)C(C)C)OC)O)=O)C)O)(C)[C@@]2(O[C@@]3(O[C@@H](CC[C@@H](C(C)=O)C)[C@H](C)CC3)CC[C@@H]2C)[H]

Molecular Formula

C41H66O13

Molecular Weight

766.95

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Tautomycin

Tautomycin is a carboxylic ester.

CAS Number	109946-35-2
PubChem CID	440646
IUPAC Name	[(3R,4R,5R,8S,9S,12R)-12-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-5,9-dihydroxy-4-methoxy-2,8-dimethyl-7-oxotridecan-3-yl] (3R)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
Molecular Formula	C41H66O13
Molecular Weight	767.0
XLogP	4.9
Topological Polar Surface Area	192
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	21
Heavy Atom Count	54
Formal Charge	0
Complexity	1360

SMILES

C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H]([C@@H](C(C)C)OC(=O)C[C@H](C3=C(C(=O)OC3=O)C)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C

InChI

InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1

InChIKey

RFCWHQNNCOJYTR-IRCAEPKSSA-N

Chemical Structure

2D Structure

CAS: 109946-35-2

CID: 440646

Formula: C41H66O13

MW: 767.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	767.0
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	21
Exact Mass	766.45034216
Monoisotopic Mass	766.45034216
Topological Polar Surface Area	192 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1360
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T23421	Tautomycetin

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GTR19227445-01	Tautomycin
466862	Tautomycin discontinued

Tautomycin

Chemical Information

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