(α,β-methylene)adenosine 5'-triphosphate

chemical compound

ChemicalSubstance group_of_stereoisomers Q27074393

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(α,β-methylene)adenosine 5'-triphosphate

Summary

(α,β-methylene)adenosine 5'-triphosphate is a group of stereoisomers^[1].

Key Facts

(α,β-methylene)adenosine 5'-triphosphate's instance of is recorded as group of stereoisomers^[2].
(α,β-methylene)adenosine 5'-triphosphate's canonical SMILES is recorded as C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O^[3].
(α,β-methylene)adenosine 5'-triphosphate's chemical formula is recorded as C₁₁H₁₈N₅O₁₂P₃^[4].
(α,β-methylene)adenosine 5'-triphosphate is a type of chemical compound^[5].

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Quick Facts

Instance of group of stereoisomers

Subclass of chemical compound

Properties

Canonical smiles C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O

Chemical formula C₁₁H₁₈N₅O₁₂P₃

Isomeric smiles C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O

Mass +505.016

Subject has role antineoplastic

External References (21)

Cas registry number 7292-42-4

Chebi id 35056

Chembl id CHEMBL132722

Chemspider id 82670

Drugbank id DB02596

Dsstox compound identifier DTXCID70145710

Dsstox substance id DTXSID20223219

Ec number 230-723-9

Echa substance infocard id 100.027.930

Guide to pharmacology ligand id 4093, 5405

Inchi InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1

Inchikey CAWZRIXWFRFUQB-IOSLPCCCSA-N

Kegg id C13740

Mesh descriptor id C002630

Pdb ligand id APC

Pdb structure id 5F2V, 5ETK, 1IH8, 1TMM, 1S26, 4M5M, 3JZ0, 2VHC, 4A3L, 4A3M, 4A3F, 5ES7, 4L39, 4DPG, 1S76, 3SEQ, 3VTH, 1RU2, 1RU1, 1N2B, 1N2G, 1N2E, 4M5I, 3HSG, 4S2Y, 4S2X, 4CLW, 4CLK, 2ZT6, 3OVA, 3LPN, 4M5G, 4M5N, 4M5L, 4M5J, 4M5K, 4M5H, 5IV3, 1WC0, 1WC3, 1WC5, 1WC4, 4BLT, 4BLS, 2PZ8, 1YBU, 1F9H, 4RWO, 4RWN, 5CFS, 5CFT, 4CM0, 1S0V, 4IZ9, 5ETO, 5ETM, 5ETP, 2PPB, 4U0Z, 3AMU, 4YXJ, 4X4U, 4X4V, 3H9J, 4A3E, 1TUM, 4CWB, 1KNY, 1Q19, 1HQ2, 3DAY, 3ILJ, 1NUS, 1NUT, 4CRJ, 3KUH, 3N0Y, 4CYU, 2BW7, 2C5U, 2YYE, 3G5A, 1Q0N, 4I2E, 2O5J, 5ETR, 5ETQ, 5ETV, 5ETT, 1VFG, 3IP0, 1W48, 1W49, 1W4A, 5ETS, 4EWV, 4Q85, 3ILO, 4BY1, 2QX0, 4I2C, 4I2B, 4I2D, 4I2H, 4USU, 3MCO, 4WC2, 1JGT, 3HT0, 3VES, 2X3F, 4OYX, 3HD1, 3HD2, 3NBA, 4X4R, 4GR5

Probes and drugs id PD050616

Pubchem cid 91557

Surechembl id 2345274, 29428268

Unichem compound id 361279

Unii NYX13NT29D

🏷️ Also known as

en (α,β-methylene)adenosine 5'-triphosphate en αβ-methylene-adenosine 5'-triphosphate

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

[2] ↑ (α,β-methylene)adenosine 5'-triphosphate — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ (α,β-methylene)adenosine 5'-triphosphate — canonical SMILES (P233): C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O. PubChem. Retrieved 2016-11-20. wikidata.org.
[4] ↑ (α,β-methylene)adenosine 5'-triphosphate — chemical formula (P274): C₁₁H₁₈N₅O₁₂P₃. PubChem. Retrieved 2016-11-20. wikidata.org.
[5] ↑ (α,β-methylene)adenosine 5'-triphosphate — subclass of (P279): chemical compound. wikidata.org.

Class ancestry

[1] ↑ (α,β-methylene)adenosine 5'-triphosphate is an instance of group of stereoisomers (Q59199015) [P31, primary]. Wikidata. wikidata.org.

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Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA

4ort.xyz Knowledge Graph. (2026). (α,β-methylene)adenosine 5'-triphosphate. Retrieved May 3, 2026, from https://4ort.xyz/entity/-methylene-adenosine-5-triphosphate

MLA

“(α,β-methylene)adenosine 5'-triphosphate.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/-methylene-adenosine-5-triphosphate.

BibTeX

@misc{4ortxyz_-methylene-adenosine-5-triphosphate_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{(α,β-methylene)adenosine 5'-triphosphate}}, year = {2026}, url = {https://4ort.xyz/entity/-methylene-adenosine-5-triphosphate}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): (α,β-methylene)adenosine 5'-triphosphate — https://4ort.xyz/entity/-methylene-adenosine-5-triphosphate (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/-methylene-adenosine-5-triphosphate · Last refreshed: May 3, 2026

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

14w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Chembl id → CHEMBL132722

Pdb structure id → 5F2V, 5ETK, 1IH8 +114

Unii → NYX13NT29D

Dsstox substance id → DTXSID20223219

+ 26 other properties edited (see Wikidata diff for full list)

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