Valinomycin

CAT: 0931-TP1072-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TP1072-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2001-95-8

Target

PTEN, Autophagy, Antifungal, Apoptosis, Antibacterial, Antibiotic

Related Pathways

PI3K/Akt/mTOR signaling, Autophagy, Apoptosis, Microbiology/Virology

Purity

>99.99%

Bioactivity

Valinomycin (NSC-122023) is a cyclic depsipeptide antibiotic and a potassium-specific ionophore.Valinomycin induces PINK1 activation and promotes Parkin phosphorylation at Ser65.

Smiles

CC(C)[C@@H]1NC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)[C@@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C

Molecular Formula

C54H90N6O18

Molecular Weight

1111.32

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Valinomycin

Valinomycin is a twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains. It has a role as an antiviral agent, an antimicrobial agent, a bacterial metabolite and a potassium ionophore. It is a cyclodepsipeptide and a macrocycle.

CAS Number	2001-95-8
PubChem CID	3000706
IUPAC Name	(3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
Molecular Formula	C54H90N6O18
Molecular Weight	1111.3
XLogP	9.1
Topological Polar Surface Area	332
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	9
Heavy Atom Count	78
Formal Charge	0
Complexity	1910

SMILES

C[C@H]1C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O1)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1

InChIKey

FCFNRCROJUBPLU-DNDCDFAISA-N

Chemical Structure

2D Structure

CAS: 2001-95-8

CID: 3000706

Formula: C54H90N6O18

MW: 1111.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1111.3
XLogP3	9.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	9
Exact Mass	1110.63116004
Monoisotopic Mass	1110.63116004
Topological Polar Surface Area	332 Å²
Heavy Atom Count	78
Formal Charge	0
Complexity	1910
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
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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