(2s,3r,4s; 5r)-oxane-2,3,4,5-tetrol
fo-9da2a7fa5a66070e
Identity
- Type
- NeutralMolecule
- CAS
- 58-86-6
- EC
- 200-400-7
- 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
14- (+)-Xylose
- (2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal
- (3R,4S,5R)-tetrahydro-2H-pyran-2,3,4,5-tetrol
- (D)-Xylose
- aldehydo-D-xylose
- D-(+)-xylose
- D-Xyl
- D-xylo-pentose
- D-xylopentose
- D-xylopyranose
- D-Xylose
- Wood sugar
- Xylose
- Xylose, D-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PYMYPHUHKUWMLA-VPENINKCSA-N, SRBFZHDQGSBBOR-IOVATXLUSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | O=C[C@H](O)[C@@H](O)[C@H](O)CO |
| IUPAC name chemrof:IUPAC_name | (+)-Xylose |
| Molecular formula chemrof:molecular_formula | C5H10O5 |
| SMILES string chemrof:smiles_string | O=CC(O)C(O)C(O)CO |
Known URLs
41Where 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 |
|---|---|---|
| beilstein | beilstein:1562108 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25702-75-4 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=58-86-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15936 | enrich_references.chebi_id_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53455 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.043.072 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.050.235 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0023745 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID101333192 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:2854 | enrich_references.chebi_xrefs |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760130 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1236821 | enrich_references.pubchem_identifier_url |
| glyconavi.org | https://glyconavi.org/hub/?id=G01550VL | enrich_references.pubchem_identifier_url |
| glygen | glygen:G53308XG | enrich_references.chebi_xrefs |
| glytoucan | glytoucan:G01550VL | enrich_references.chebi_xrefs |
| glytoucan | glytoucan:G53308XG | enrich_references.chebi_xrefs |
| gmelin | gmelin:486611 | enrich_references.chebi_xrefs |
| gnome.glyomics.org | https://gnome.glyomics.org/StructureBrowser.html?focus=G01550VL | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A1TA934AKO | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000098 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.806A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00181 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D06346 | enrich_references.chebi_xrefs |
| knapsack | knapsack:C00007290 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50315 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/644160 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/13338266 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17979222 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22770225 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23279585 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23359361 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23721368 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23872280 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24053822 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24065156 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24643482 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25108762 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7540499 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1280757 | enrich_references.chebi_xrefs |
| wikidata.org | https://www.wikidata.org/wiki/Q27077130 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Xylose | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6f4801f7-5f57-4f86-b630-593e14d625b6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 7e77d911-d0db-4ba3-b8e2-3d8eda656497 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| f7d68e14-6f2e-46ec-9a84-6074b7250ab7 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 3ae50dbf-2c66-4715-958e-82fe6d4a4436 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c41636c4-e84e-4baa-a893-204a7253817a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 35eb59a0-9108-41f1-a957-06e1271bf92d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| b675284b-33a7-474d-ab59-043604559c77 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 99b6166e-319d-455a-8879-0cdd0a83d886 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| faf18602-1b3c-498d-9baa-c0f890e4b640 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 1f759f05-b7cf-403c-91ac-bc2e45b33625 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 154a9381-4805-48a2-a950-76d6e4dbe041 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 20778dd0-768b-4a4b-93fb-19c6d6a8026d | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| b45172b8-ffdf-41d3-b1d5-aca8bf517599 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-9da2a7fa5a66070e",
"prefLabel": [
{
"@value": "(2s,3r,4s; 5r)-oxane-2,3,4,5-tetrol",
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"altLabel": [
{
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},
{
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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": "D-xylopentose",
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},
{
"@value": "D-xylopyranose",
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},
{
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},
{
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},
{
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},
{
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],
"properties": {
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],
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"attested_by": {
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},
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"rdfs:label": "InChI",
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},
"https://w3id.org/chemrof/elemental_charge": {
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"https://w3id.org/chemrof/IUPAC_name": {
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},
"https://w3id.org/chemrof/isomeric_smiles_string": {
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},
"references": [
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