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Tryptophyl adenylate

CAT: 0931-T34961-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34961-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31528-64-0
Target
Others
Related Pathways
Others
Bioactivity
Tryptophyl adenylate is a bioactive chemical.
Smiles
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Molecular Formula
C21H24N7O8P
Molecular Weight
533.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tryptophyl adenylate

3'-L-tryptophyl-AMP is an L-tryptophan derivative that is the ester obtained by formal condensation of the carboxy group of L-tryptophan with the 3'-hydroxy group of AMP. It has a role as a Mycoplasma genitalium metabolite. It is a purine ribonucleoside 5'-monophosphate, an adenosine 5'-phosphate, an alpha-amino acid ester and a L-tryptophan derivative. It is functionally related to an adenosine 5'-monophosphate.

CAS Number31528-64-0
PubChem CID3082333
IUPAC Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] (2S)-2-amino-3-(1H-indol-3-yl)propanoate
Molecular FormulaC21H24N7O8P
Molecular Weight533.4
XLogP-4
Topological Polar Surface Area234
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity869
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)O)N
InChI
InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(30)36-17-14(7-34-37(31,32)33)35-20(16(17)29)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29H,5,7,22H2,(H2,23,25,26)(H2,31,32,33)/t12-,14+,16+,17+,20+/m0/s1
InChIKey
ZTKQHOGBACRMGC-SQIXAUHQSA-N
Chemical Structure
2D Structure
2D structure of Tryptophyl adenylate
CAS: 31528-64-0
CID: 3082333
Formula: C21H24N7O8P
MW: 533.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight533.4
XLogP3-4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass533.14239775
Monoisotopic Mass533.14239775
Topological Polar Surface Area234 Ų
Heavy Atom Count37
Formal Charge0
Complexity869
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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