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(R) -2-Hydroxyglutaryl-5-CoA

CAT: 0931-TXB-00654-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TXB-00654-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137374-53-9
Target
Others
Related Pathways
Others
Bioactivity
(R) -2-Hydroxyglutaryl-5-CoA ((R) -2-Hydroxyglutaryl-5-coenzyme A) is a derivative of coenzyme A.
Smiles
O=C(O)C(O)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O
Molecular Formula
C26H42N7O20P3S
Molecular Weight
897.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-hydroxyglutaryl-5-coenzyme A

structure given in first source

CAS Number137374-53-9
PubChem CID3083265
IUPAC Name5-[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]ethylsulfanyl]-2-hydroxy-5-oxopentanoic acid
Molecular FormulaC26H42N7O20P3S
Molecular Weight897.6
XLogP-6.4
Topological Polar Surface Area446
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count25
Rotatable Bond Count24
Heavy Atom Count57
Formal Charge0
Complexity1560
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)CCC(C(=O)O)O)O
InChI
InChI=1S/C26H42N7O20P3S/c1-26(2,20(38)23(39)29-6-5-15(35)28-7-8-57-16(36)4-3-13(34)25(40)41)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(37)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,34,37-38H,3-10H2,1-2H3,(H,28,35)(H,29,39)(H,40,41)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13?,14-,18-,19-,20+,24-/m1/s1
InChIKey
LTHKYRZAVRCUOF-RMNRSTNRSA-N
Chemical Structure
2D Structure
2D structure of 2-hydroxyglutaryl-5-coenzyme A
CAS: 137374-53-9
CID: 3083265
Formula: C26H42N7O20P3S
MW: 897.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight897.6
XLogP3-6.4
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count25
Rotatable Bond Count24
Exact Mass897.14181892
Monoisotopic Mass897.14181892
Topological Polar Surface Area446 Ų
Heavy Atom Count57
Formal Charge0
Complexity1560
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19253136-012-Hydroxyglutaryl-CoA
HY-CE00376(R) -2-Hydroxyglutaryl-5-CoA
GTR19253149-012-Hydroxyglutaryl-1-CoA
MBS1042660-01Recombinant Acidaminococcus fermentans (R)-2-hydroxyglutaryl-CoA dehydratase subunit beta
MBS1232274-01Recombinant Acidaminococcus fermentans Activator of (R)-2-hydroxyglutaryl-CoA dehydratase
MBS1107007-01Recombinant Acidaminococcus fermentans (R)-2-hydroxyglutaryl-CoA dehydratase subunit alpha
GTR19253700-012,5-Dihydroxybenzoyl-CoA
GTR19268143-015-Hydroxy-2-propylpentanoyl-CoA
HY-CE014835-Carboxy-2-pentenoyl-CoA
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