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L-Tyrosine-CoA

CAT: 0804-HY-CE01674Size: 1 EachDry Ice: NoHazardous: No
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Description
L-Tyrosine-CoA (L-Tyrosine-coenzyme A) is a coenzyme A derivative[1].
CAS Number
1862196-90-4
Product Name Alternative
L-Tyrosine-coenzyme A
UNSPSC
12352204
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Metabolic Disease
Smiles
O=C([C@@H](N)CC1=CC=C(O)C=C1)SCCNC(CCNC([C@H](O)C(C)(COP(O)(OP(O)(OC[C@@H]2[C@@H](OP(O)(O)=O)[C@@H](O)[C@H](N3C=NC4=C(N)N=CN=C43)O2)=O)=O)C)=O)=O
Molecular Formula
C30H45N8O18P3S
Molecular Weight
930.71
References & Citations
[1]L-Tyrosine-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-(4-hydroxyphenyl)propanethioate
CAS Number1862196-90-4
PubChem CID178203584
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-(4-hydroxyphenyl)propanethioate
Molecular FormulaC30H45N8O18P3S
Molecular Weight930.7
XLogP-7.2
Topological Polar Surface Area435
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count24
Rotatable Bond Count23
Heavy Atom Count60
Formal Charge0
Complexity1610
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](CC4=CC=C(C=C4)O)N)O
InChI
InChI=1S/C30H45N8O18P3S/c1-30(2,24(42)27(43)34-8-7-20(40)33-9-10-60-29(44)18(31)11-16-3-5-17(39)6-4-16)13-53-59(50,51)56-58(48,49)52-12-19-23(55-57(45,46)47)22(41)28(54-19)38-15-37-21-25(32)35-14-36-26(21)38/h3-6,14-15,18-19,22-24,28,39,41-42H,7-13,31H2,1-2H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18-,19+,22+,23+,24-,28+/m0/s1
InChIKey
ASUHOXKTMUHZGT-WDMCVEARSA-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-(4-hydroxyphenyl)propanethioate
CAS: 1862196-90-4
CID: 178203584
Formula: C30H45N8O18P3S
MW: 930.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight930.7
XLogP3-7.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count24
Rotatable Bond Count23
Exact Mass930.17853878
Monoisotopic Mass930.17853878
Topological Polar Surface Area435 Ų
Heavy Atom Count60
Formal Charge0
Complexity1610
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
GTR19268313-01L-Tyrosine-CoA
GTR19268615-01Meta-tyrosine-CoA
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