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(R) -Lactoyl-CoA

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Description
(R) -Lactoyl-CoA ((R) -Lactoyl-coenzyme A) is a lactoyl-CoA in which the lactoyl residue has (R) -configuration.
CAS Number
4625-32-5
Product Name Alternative
(R) -Lactoyl-coenzyme A
UNSPSC
12352204
Target
Biochemical Assay Reagents
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Smiles
O[C@H]1[C@@H](O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC([C@H](O)C)=O)=O)=O)(O)=O)(O)=O)N2C3=NC=NC(N)=C3N=C2
Molecular Formula
C24H40N7O18P3S
Molecular Weight
839.60
References & Citations
[1] (R) -Lactoyl-CoA
Shipping Conditions
Room temperature
Scientific Category
Enzyme
Clinical Information
No Development Reported

Chemical Information

(R)-lactoyl-CoA

(R)-lactoyl-CoA is a lactoyl-CoA in which the lactoyl residue has (R)-configuration. It is functionally related to a (R)-lactic acid.

CAS Number4625-32-5
PubChem CID25246108
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] (2R)-2-hydroxypropanethioate
Molecular FormulaC24H40N7O18P3S
Molecular Weight839.6
XLogP-5.9
Topological Polar Surface Area409
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count23
Rotatable Bond Count21
Heavy Atom Count53
Formal Charge0
Complexity1430
SMILES
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)O
InChI
InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12-,13-,16-,17-,18+,22-/m1/s1
InChIKey
VIWKEBOLLIEAIL-AGCMQPJKSA-N
Chemical Structure
2D Structure
2D structure of (R)-lactoyl-CoA
CAS: 4625-32-5
CID: 25246108
Formula: C24H40N7O18P3S
MW: 839.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight839.6
XLogP3-5.9
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count23
Rotatable Bond Count21
Exact Mass839.13633962
Monoisotopic Mass839.13633962
Topological Polar Surface Area409 Ų
Heavy Atom Count53
Formal Charge0
Complexity1430
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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