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Mathemycin B

CAT: 0931-TN10926-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10926-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
233262-38-9
Target
Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
Mathemycin B inhibits pathogenic fungi and shows inhibitory activity against Phytophthora strain JO8 in vitro, with a minimum inhibitory concentration (MIC) of 7.8 μg/mL.
Smiles
O([C@@H]1[C@H](O)[C@@H](OC2C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O[C@H]3[C@@H](O)[C@@H](N)[C@H](O)[C@@H](C)O3)C(C)C(C(CC(CCCCCCN)C)C)OC(=O)CCC(C)C(O)CCC=CC(C)C(O)C(C)=CC(C)C(O)C(C)=C2)O[C@H](CO)[C@H]1O)[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O
Molecular Formula
C77H142N2O29
Molecular Weight
1559.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mathemycin B

Mathemycin B is an aminoglycoside.

CAS Number233262-38-9
PubChem CID73208754
IUPAC Name38-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-40-(10-amino-4-methyldecan-2-yl)-19-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,12,16,20,22,24,26,28,30,32,34,36-dodecahydroxy-5,11,13,15,17,21,27,33,39-nonamethyl-1-oxacyclotetraconta-9,13,17-trien-2-one
Molecular FormulaC77H142N2O29
Molecular Weight1559.9
XLogP0
Topological Polar Surface Area559
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count31
Rotatable Bond Count17
Heavy Atom Count108
Formal Charge0
Complexity2600
SMILES
CC1CCC(=O)OC(C(C(CC(CC(C(C(CC(CC(C(C(CC(CC(C(C(C(C=C(C(C(C=C(C(C(C=CCCC1O)C)O)C)C)O)C)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)C)O)O)O)C)O)O)O)C)O)O)OC4C(C(C(C(O4)C)O)N)O)C)C(C)CC(C)CCCCCCN
InChI
InChI=1S/C77H142N2O29/c1-36(19-15-13-14-18-24-78)25-42(7)73-46(11)57(103-75-69(98)62(79)66(95)47(12)102-75)33-50(84)32-55(89)44(9)53(87)29-48(82)28-52(86)43(8)54(88)30-49(83)31-56(90)45(10)65(94)58(104-77-72(101)74(68(97)60(35-81)106-77)108-76-71(100)70(99)67(96)59(34-80)105-76)27-41(6)64(93)40(5)26-39(4)63(92)38(3)20-16-17-21-51(85)37(2)22-23-61(91)107-73/h16,20,26-27,36-38,40,42-60,62-77,80-90,92-101H,13-15,17-19,21-25,28-35,78-79H2,1-12H3
InChIKey
LNARHTBARTYDAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mathemycin B
CAS: 233262-38-9
CID: 73208754
Formula: C77H142N2O29
MW: 1559.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1559.9
XLogP30
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count31
Rotatable Bond Count17
Exact Mass1558.96982650
Monoisotopic Mass1558.96982650
Topological Polar Surface Area559 Ų
Heavy Atom Count108
Formal Charge0
Complexity2600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count39
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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