L-Isoleucine-CoA

CAT: 0931-TYD-04236-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TYD-04236-01Size:10 mg

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

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CAS Number

206440-40-6

Target

Others

Related Pathways

Others

Bioactivity

L-Isoleucine-CoA (L-Isoleucine-coenzyme A) is a derivative of coenzyme A.

Smiles

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC([C@H]([C@H](CC)C)N)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Molecular Formula

C27H47N8O17P3S

Molecular Weight

880.69

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S,3S)-2-amino-3-methylpentanethioate

CAS Number	206440-40-6
PubChem CID	178203628
IUPAC Name	S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S,3S)-2-amino-3-methylpentanethioate
Molecular Formula	C27H47N8O17P3S
Molecular Weight	880.7
XLogP	-7.1
Topological Polar Surface Area	415
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	23
Heavy Atom Count	56
Formal Charge	0
Complexity	1500

SMILES

CC[C@H](C)[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)N

InChI

InChI=1S/C27H47N8O17P3S/c1-5-14(2)17(28)26(40)56-9-8-30-16(36)6-7-31-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-15-20(51-53(41,42)43)19(37)25(50-15)35-13-34-18-22(29)32-12-33-23(18)35/h12-15,17,19-21,25,37-38H,5-11,28H2,1-4H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t14-,15+,17-,19+,20+,21-,25+/m0/s1

InChIKey

KYZLATUFVJKEPS-CLRJTVTJSA-N

Chemical Structure

2D Structure

CAS: 206440-40-6

CID: 178203628

Formula: C27H47N8O17P3S

MW: 880.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	880.7
XLogP3	-7.1
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	23
Exact Mass	880.19927423
Monoisotopic Mass	880.19927423
Topological Polar Surface Area	415 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1500
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T0063-01	L-Isoleucine
T32212-01	Isoleucine orlistat, L-
T211454-01	(±) -Jasmonic-L-isoleucine
TYD-01968-01	Glycyl-l-isoleucine
T74190-01	(-) -Jasmonoyl-L-isoleucine
TYD-04604-01	L-Lysine-CoA
TYD-04545-01	L-Phospholactate-CoA
TYD-04389-01	L-Valine-CoA
TYD-04322-01	L-Serine-CoA
TYD-04100-01	L-Homoserine-CoA

Alternative Products

Catalog	Name
HY-CE01665	L-Isoleucine-CoA
40900012-1	L-Isoleucine
20330-02	L- (+) -Isoleucine

L-Isoleucine-CoA

Chemical Information

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