Products for Research Use Only
RegisterLogin

2,5-Dihydroxybenzoyl-CoA

CAT: 0013-GTR19253700-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19253700-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
2,5-Dihydroxybenzoyl-CoA (Gentisyl-coenzyme A) is a type of acyl-coenzyme A.
CAS Number
154145-26-3
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 (=O) C4=C (O) C=CC (O) =C4) =O) =O) O) (C) C) (=O) O) (=O) O) [C@H]1OP (=O) (O) O
Molecular Formula
C28H40N7O19P3S
Molecular Weight
903.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,5-dihydroxybenzoyl-CoA

2,5-dihydroxybenzoyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2,5-dihydroxybenzoic acid. It is functionally related to a 2,5-dihydroxybenzoic acid. It is a conjugate acid of a 2,5-dihydroxybenzoyl-CoA(4-).

CAS Number154145-26-3
PubChem CID49859680
IUPAC NameS-[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] 2,5-dihydroxybenzenecarbothioate
Molecular FormulaC28H40N7O19P3S
Molecular Weight903.6
XLogP-4.1
Topological Polar Surface Area429
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count24
Rotatable Bond Count21
Heavy Atom Count58
Formal Charge0
Complexity1580
SMILES
CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=C(C=CC(=C4)O)O)O
InChI
InChI=1S/C28H40N7O19P3S/c1-28(2,22(40)25(41)31-6-5-18(38)30-7-8-58-27(42)15-9-14(36)3-4-16(15)37)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)35-13-34-19-23(29)32-12-33-24(19)35/h3-4,9,12-13,17,20-22,26,36-37,39-40H,5-8,10-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t17-,20-,21-,22+,26-/m1/s1
InChIKey
JWFTZSFRBMKSNJ-TYHXJLICSA-N
Chemical Structure
2D Structure
2D structure of 2,5-dihydroxybenzoyl-CoA
CAS: 154145-26-3
CID: 49859680
Formula: C28H40N7O19P3S
MW: 903.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight903.6
XLogP3-4.1
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count24
Rotatable Bond Count21
Exact Mass903.13125424
Monoisotopic Mass903.13125424
Topological Polar Surface Area429 Ų
Heavy Atom Count58
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19278893-012- (2,6-dihydroxybenzoyl) -3-hydroxy-5-methylbenzoic acid
GTR19272322-01Methyl 2- (2,6-dihydroxybenzoyl) -3-hydroxy-5-methylbenzoate
GTR191799922- (2,4-Dihydroxybenzoyl) benzoic acid
GTR19279014-014- (3,5-dihydroxybenzoyl) -2,5,7-trihydroxy-2-methyl-1,2-dihydronaphthalen-1-one
GTR19268143-015-Hydroxy-2-propylpentanoyl-CoA
GTR19253736-01(R) -2-Hydroxyglutaryl-5-CoA
GTR19268423-015-Carboxy-2-pentenoyl-CoA
GTR19267754-01Cyclohex-2,5-dienecarbonyl-CoA
GTR19253634-012,3-Dihydroxy-2,3-dihydrobenzoyl-CoA
GTR19268525-01Trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA

Alternative Products

CatalogName
HY-CE006842,5-Dihydroxybenzoyl-CoA
OR1025465-01(2,5-Dihydroxybenzoyl) Glycine
AR-T01627-012- (3,5-dihydroxybenzoyl) malonic acid
TN56892- (2,4-Dihydroxybenzoyl) benzoic acid
RG-A262514-01Methyl 2- (2,6-Dihydroxybenzoyl) -3-Hydroxy-5-Methylbenzoate
FD184270-012- (2,4-Dihydroxybenzoyl) terephthalic acid
MBS57877942-(2,4-Dihydroxybenzoyl)benzoic acid
AR-A02673-01Aspirin Impurity (2- (2,4-Dihydroxybenzoyl) Benzoic Acid)
UTB04877-012- (3,4-Dihydroxybenzoyl) -3- (4-hydroxy-3-iodo-5-methoxyphenyl) prop-2-enenitrile
TYD-03464-01Cyclohex-2,5-dienecarbonyl-CoA

Popular Products