2-Oxopentadecyl-CoA

CAT: 0931-TXB-00606-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TXB-00606-01Size:10 mg

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CAS Number

121124-66-1

Target

Others

Related Pathways

Others

Bioactivity

2-Oxopentadecyl-CoA (2-Oxopentadecyl-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(NCCSCC(CCCCCCCCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Molecular Formula

C36H64N7O17P3S

Molecular Weight

991.92

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

S-(2-Oxopentadecyl)-coenzyme A

RN & structure given in first source; potent inhibitor of myristoyl-CoA:Protein N-myristoyltransferase; RN given refers to the free acid

CAS Number	121124-66-1
PubChem CID	122639
IUPAC Name	[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxopentadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
Molecular Formula	C36H64N7O17P3S
Molecular Weight	991.9
XLogP	0.6
Topological Polar Surface Area	389
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	33
Heavy Atom Count	64
Formal Charge	0
Complexity	1610

SMILES

CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

InChI

InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)

InChIKey

JKWHUJMJVNMKEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121124-66-1

CID: 122639

Formula: C36H64N7O17P3S

MW: 991.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	991.9
XLogP3	0.6
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	33
Exact Mass	991.32922577
Monoisotopic Mass	991.32922577
Topological Polar Surface Area	389 Å²
Heavy Atom Count	64
Formal Charge	0
Complexity	1610
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TYD-02201-01	2,2-Dimethylpentanedioyl-CoA
TXB-00772-01	2-Oxopentanedicarboxyl-CoA
TXB-00771-01	2-Hydroxybenzoyl-CoA
TXB-00742-01	2-Hydroxyadipoyl-CoA
TXB-00733-01	2-Fluorooctanoyl-CoA
TXB-00710-01	2-Hydroxyarachidoyl-CoA
TXB-00681-01	2-Fluorobenzoyl-CoA
TXB-00619-01	2-Bromopalmitoyl-CoA
TXB-00614-01	2-Tetradecenoyl-CoA
TYD-02445-01	2-Hydroxydecanoyl-CoA

Alternative Products

Catalog	Name
HY-CE00490	2-Oxopentadecyl-CoA
HY-158087S-01	N- (1-Oxopentadecyl) glycine-d2
GTR19253322-01	2,2-Dimethylpentanedioyl-CoA
HY-CE00911	2-Hydroxydecanoyl-CoA
HY-CE00818	2-Hydroxyundecanoyl-CoA
HY-CE00817	2-Hydroxymalonyl-CoA
HY-CE00816	2-Hydroxyglutaryl-CoA
HY-CE00772	2-Carboxypropyl-CoA
HY-CE00770	2-Carbamoylbenzoyl-CoA
HY-CE00707	2-Furylpropionyl-CoA

2-Oxopentadecyl-CoA

Chemical Information

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