Thymidine
fo-561a72e2ad99f518
Identity
- Type
- Neutral molecule
- CAS
- 50-89-5
- EC
- 200-070-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
29- 1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
- 1-(2-Deoxy-β-D-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
- 10: PN: CN101531718 PAGE: 4 claimed sequence
- 2'-deoxy-5-methyluridine
- 2'-deoxythymidine
- 2'-thymidine
- 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-methyl-
- 20: PN: WO2022263569 PAGE: 208 claimed sequence
- 2′-Deoxythymidine
- 31: PN: CN108866051 SEQID: 31 claimed sequence
- 5-methyl-2'-deoxyuridine
- 5-Methyl-2′-deoxyuridine
- 5-Methyldeoxyuridine
- 5: PN: CN104513856 PAGE: 2 claimed sequence
- Deoxyribothymidine
- Deoxythymidine
- Doxribtimine
- dT
- dThd
- DThyd
- MeSH ID: D013936
- T
- Thymidin
- thymine 2'-deoxyriboside
- Thymine 2-desoxyriboside
- Thymine deoxyriboside
- Uridine, 2′-deoxy-5-methyl-
- β-D-Ribofuranoside, thymine-1 2-deoxy-
- β-Thymidine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | IQFYYKKMVGJFEH-XLPZGREQSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |
| IUPAC name chemrof:IUPAC_name | Thymidine |
| Molecular formula chemrof:molecular_formula | C10H14N2O5 |
| Molecular mass chemrof:molecular_mass | 242.231 |
| Monoisotopic mass chemrof:monoisotopic_mass | 242.09027, 242.090272 |
| SMILES string chemrof:smiles_string | Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O |
Known URLs
31Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=100455-81-0 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=146183-25-7 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=50-88-4 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=50-89-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17748 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.065 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5023661 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB04485 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04485 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL52609 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:282610 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VC2W18DGKR | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000273 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.548I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00214 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00214 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D12466 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00019698 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37175 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=THYMIDINE | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C880 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:THM | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL52609 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5789 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=023079 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22770225 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2559771 | enrich_references.chebi_xrefs |
| reaxys | reaxys:89285 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1372538 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q422464 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Thymidine | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 946e9440-c925-4a7a-a710-dd39d10d6470 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 179cae7d-6909-45d6-991d-53f96636b35f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| c6a812f4-3859-4954-9565-8ded6ad67636 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 870f8d85-cb40-487f-8395-51c7d90c2877 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 550603fd-9b53-40d3-ad37-3e8ef0d29c3d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 5f6e6d09-adc3-4873-9371-9f51c18db49b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 13fd6800-7afb-451e-9948-769bb13cf4af | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 570bc103-19e5-4036-b0e8-20973989dd61 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 7d1f4e86-16c6-4e01-b527-1c235914ae36 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4694bc86-12ab-47d7-adf4-95b8b60e7174 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a2e019ed-597b-4d0f-9557-693c817ca087 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 962b93ea-3496-4a58-9895-59c8d8b0e269 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 52f6a7e0-9580-4537-bed8-6bcb9e4ab791 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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{
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{
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},
{
"@value": "Deoxyribothymidine",
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{
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{
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{
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{
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{
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},
{
"@value": "thymine 2'-deoxyriboside",
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{
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},
{
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},
{
"@value": "Uridine, 2′-deoxy-5-methyl-",
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},
{
"@value": "β-D-Ribofuranoside, thymine-1 2-deoxy-",
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},
{
"@value": "β-Thymidine",
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],
"properties": {
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"attested_by": {
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},
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