S- (2-Hydroxypentadecyl) -CoA

CAT: 0931-TYD-04043-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TYD-04043-01Size:10 mg

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CAS Number

152127-36-1

Target

Others

Related Pathways

Others

Bioactivity

S- (2-Hydroxypentadecyl) -CoA (S- (2-Hydroxypentadecyl) 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

C36H66N7O17P3S

Molecular Weight

993.93

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID10056818; (Acyl-CoA); [M+H]+

CAS Number	152127-36-1
PubChem CID	10056818
IUPAC Name	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-4-[[3-[2-(2-hydroxypentadecylsulfanyl)ethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
Molecular Formula	C36H66N7O17P3S
Molecular Weight	993.9
XLogP	0.6
Topological Polar Surface Area	392
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	33
Heavy Atom Count	64
Formal Charge	0
Complexity	1560

SMILES

CCCCCCCCCCCCCC(CSCCNC(=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)O

InChI

InChI=1S/C36H66N7O17P3S/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/h23-26,29-31,35,44,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t25?,26-,29-,30-,31+,35-/m1/s1

InChIKey

POGXIYMTSHACTF-QGGHQSAPSA-N

Chemical Structure

2D Structure

CAS: 152127-36-1

CID: 10056818

Formula: C36H66N7O17P3S

MW: 993.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	993.9
XLogP3	0.6
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	33
Exact Mass	993.34487583
Monoisotopic Mass	993.34487583
Topological Polar Surface Area	392 Å²
Heavy Atom Count	64
Formal Charge	0
Complexity	1560
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TN7656-01	CoA-S-S-CoA
TYD-04489-01	S-2-Butynoate-CoA
TYD-03928-01	S-2-Pentynoate-CoA
TYD-03998-01	S, S- (2-Hydroxyethyl) thiocysteine-CoA
TYD-02371-01	(R) -S- (2-Tetradecyloxiranecarboxylate) -CoA
TYD-04458-01	S-Acetonyl-CoA
TYD-04316-01	S-Methylcysteine-CoA
TYD-04169-01	S-Hydroxycysteine-CoA
TYD-04052-01	S-Mercaptocysteine-CoA
TYD-03951-01	S-Hexadecenoate-CoA

Alternative Products

Catalog	Name
HY-CE01770	S- (2-Hydroxypentadecyl) -CoA
GTR19253322-01	2,2-Dimethylpentanedioyl-CoA
HY-W712673-01	2-Methylacetoacetyl-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

S- (2-Hydroxypentadecyl) -CoA

Chemical Information

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