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1-Hydroxy-2-Naphthoyl-CoA

CAT: 0931-TXB-00781-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TXB-00781-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1311399-44-6
Target
Others
Related Pathways
Others
Bioactivity
1-Hydroxy-2-Naphthoyl-CoA (1-Hydroxy-2-Naphthoyl-coenzyme A) is a derivative of coenzyme A.
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)C5=C(C=C4)C=CC=C5)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Molecular Formula
C32H42N7O18P3S
Molecular Weight
937.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Hydroxy-2-Naphthoyl-Coa
CAS Number1311399-44-6
PubChem CID71306456
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] 1-hydroxynaphthalene-2-carbothioate
Molecular FormulaC32H42N7O18P3S
Molecular Weight937.7
XLogP-2.5
Topological Polar Surface Area409
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count23
Rotatable Bond Count21
Heavy Atom Count61
Formal Charge0
Complexity1690
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(C5=CC=CC=C5C=C4)O)O
InChI
InChI=1S/C32H42N7O18P3S/c1-32(2,26(43)29(44)35-10-9-21(40)34-11-12-61-31(45)19-8-7-17-5-3-4-6-18(17)23(19)41)14-54-60(51,52)57-59(49,50)53-13-20-25(56-58(46,47)48)24(42)30(55-20)39-16-38-22-27(33)36-15-37-28(22)39/h3-8,15-16,20,24-26,30,41-43H,9-14H2,1-2H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/t20-,24-,25-,26+,30-/m1/s1
InChIKey
ZHSLHXZSNOSMQG-HSJNEKGZSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-2-Naphthoyl-Coa
CAS: 1311399-44-6
CID: 71306456
Formula: C32H42N7O18P3S
MW: 937.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight937.7
XLogP3-2.5
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count23
Rotatable Bond Count21
Exact Mass937.15198968
Monoisotopic Mass937.15198968
Topological Polar Surface Area409 Ų
Heavy Atom Count61
Formal Charge0
Complexity1690
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

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Alternative Products

CatalogName
GTR19253596-011-Hydroxy-2-Naphthoyl-CoA
GTR19253636-012-Naphthoyl-CoA
GTR19253715-011,4-Dihydroxy-2-naphthoyl-CoA
sc-2085281- (2-Naphthoyl) imidazole
HY-121947-011'-Naphthoyl-2-methylindole
GTR18989016-01Escherichia coli 1,4-dihydroxy-2-naphthoyl-CoA hydrolase Protein
MBS1408226-01Recombinant Anabaena variabilis 1,4-dihydroxy-2-naphthoyl-CoA hydrolase (Ava_0397)
MBS1355588-01Recombinant Staphylococcus aureus 1,4-Dihydroxy-2-naphthoyl-CoA synthase (menB)
MBS1438783-01Recombinant Pasteurella multocida 1,4-Dihydroxy-2-naphthoyl-CoA synthase (menB)
MBS1139118-01Recombinant Bacillus subtilis 1,4-Dihydroxy-2-naphthoyl-CoA synthase (menB)

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