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L-Serine-CoA

CAT: 0804-HY-171613Size: 1 EachDry Ice: NoHazardous: No
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Description
L-Serine-CoA (L-Serine-coenzyme A) is a coenzyme A derivative[1].
CAS Number
206440-43-9
Product Name Alternative
L-Serine-coenzyme A
UNSPSC
12352204
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Metabolic Disease
Smiles
O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC([C@@H](N)CO)=O)=O)=O)(O)=O)(O)=O)O[C@H]1N2C=NC3=C(N)N=CN=C32
Molecular Formula
C24H41N8O18P3S
Molecular Weight
854.61
References & Citations
[1]L-Serine-CoA
Shipping Conditions
Room temperature
Scientific Category
Enzyme
Clinical Information
No Development Reported

Chemical Information

S-[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] (2S)-2-amino-3-hydroxypropanethioate
CAS Number206440-43-9
PubChem CID178203644
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] (2S)-2-amino-3-hydroxypropanethioate
Molecular FormulaC24H41N8O18P3S
Molecular Weight854.6
XLogP-9.5
Topological Polar Surface Area435
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count24
Rotatable Bond Count22
Heavy Atom Count54
Formal Charge0
Complexity1450
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)[C@H](CO)N)O
InChI
InChI=1S/C24H41N8O18P3S/c1-24(2,18(36)21(37)28-4-3-14(34)27-5-6-54-23(38)12(25)7-33)9-47-53(44,45)50-52(42,43)46-8-13-17(49-51(39,40)41)16(35)22(48-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,33,35-36H,3-9,25H2,1-2H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t12-,13+,16+,17+,18-,22+/m0/s1
InChIKey
BBWIBLFNFIEQKX-IBNUZSNCSA-N
Chemical Structure
2D Structure
2D structure of S-[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] (2S)-2-amino-3-hydroxypropanethioate
CAS: 206440-43-9
CID: 178203644
Formula: C24H41N8O18P3S
MW: 854.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight854.6
XLogP3-9.5
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count24
Rotatable Bond Count22
Exact Mass854.14723866
Monoisotopic Mass854.14723866
Topological Polar Surface Area435 Ų
Heavy Atom Count54
Formal Charge0
Complexity1450
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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Alternative Products

CatalogName
TYD-04322-01L-Serine-CoA
TYD-02880-011-Hexadecanosulfonyl-O-L-Serine-CoA
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