Waldiomycin

CAT: 0931-TN8033-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN8033-01Size:10 mg

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CAS Number

1342200-33-2

Target

Antibiotic

Related Pathways

Microbiology/Virology

Bioactivity

Waldiomycin is an antibiotic found in Streptomyces sp. MK844-mF10 that inhibits Gram-positive bacteria with low GC content. It functions by targeting the ATP-binding domain of the WalK kinase, thereby inhibiting its activity and disrupting the WalK/WalR signaling pathway, which is crucial for cell growth and division.

Smiles

O=C1C=2C3=C(C=CC2C(=O)C=4C1=CC=C(C4O)[C@@H]5O[C@H](C)[C@@H](OC(/C=C/C=C/C=C/[C@@H]6O[C@](C(O)=O)(C)O[C@H]6C)=O)CC5)C[C@@](C)(O)[C@H](O)C3=O

Molecular Formula

C38H38O13

Molecular Weight

702.7

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Waldiomycin

Waldiomycin is an angucycline.

CAS Number	1342200-33-2
PubChem CID	72197554
IUPAC Name	(2S,4S,5S)-2,4-dimethyl-5-[(1E,3E,5E)-7-[(2R,3S,6R)-2-methyl-6-[(2S,3R)-2,3,8-trihydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl]oxan-3-yl]oxy-7-oxohepta-1,3,5-trienyl]-1,3-dioxolane-2-carboxylic acid
Molecular Formula	C38H38O13
Molecular Weight	702.7
XLogP	3.8
Topological Polar Surface Area	203
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Heavy Atom Count	51
Formal Charge	0
Complexity	1500

SMILES

C[C@@H]1[C@H](CC[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5=C4C(=O)[C@H]([C@](C5)(C)O)O)O)OC(=O)/C=C/C=C/C=C/[C@H]6[C@@H](O[C@](O6)(C)C(=O)O)C

InChI

InChI=1S/C38H38O13/c1-18-24(49-27(39)10-8-6-5-7-9-25-19(2)50-38(4,51-25)36(45)46)15-16-26(48-18)21-13-14-23-30(31(21)40)33(42)22-12-11-20-17-37(3,47)35(44)34(43)28(20)29(22)32(23)41/h5-14,18-19,24-26,35,40,44,47H,15-17H2,1-4H3,(H,45,46)/b6-5+,9-7+,10-8+/t18-,19+,24+,25+,26-,35-,37-,38+/m1/s1

InChIKey

LGLUNKKVFSUDLD-WUDSKPCRSA-N

Chemical Structure

2D Structure

CAS: 1342200-33-2

CID: 72197554

Formula: C38H38O13

MW: 702.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	702.7
XLogP3	3.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Exact Mass	702.23124126
Monoisotopic Mass	702.23124126
Topological Polar Surface Area	203 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1500
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19236159-01	Waldiomycin

Waldiomycin

Chemical Information

Alternative Products

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