Consensus flow list

Identity

Type
Neutral molecule
CAS
129499-78-1
EC
425-980-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for L-ascorbic Acid 2-glucoside

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MLSJBGYKDYSOAE-DCWMUDTNSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string O=C1O[C@H]([C@@H](O)CO)C(O)=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
IUPAC name chemrof:IUPAC_name 2-O-α-D-Glucopyranosyl-L-ascorbic acid
Molecular formula chemrof:molecular_formula C12H18O11
Molecular mass chemrof:molecular_mass 338.265
Monoisotopic mass chemrof:monoisotopic_mass 338.08491, 338.084911
SMILES string chemrof:smiles_string O=C1OC(C(O)CO)C(O)=C1OC1OC(CO)C(O)C(O)C1O

Known URLs

19

Where 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=129499-78-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81685 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.444 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.114.373 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50926423 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11335 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2011961 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G32886OM enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2V52R0NHXW enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J346.163G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18339 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18339 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=126144 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C221860 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL2011961 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/54693473 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1306933 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27155554 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ascorbyl_glucoside enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1e632355-785d-4ee9-bce9-a015a415cb57 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
424e42f3-2492-4bf4-b596-fb3f36e69b1f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e638f60f-167c-43ad-bb2e-a6e62e61197a Environmental → Air → Indoor EF 3.1 kg 2
9df97acf-9b5d-447f-889d-8a2d3450d051 Environmental → Air → Long-term EF 3.1 kg 0
e99ccfa8-8b8c-4402-89a8-3969b280ca0c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
80bcbce1-c1a2-4e3d-95d1-b3e331f2c9b3 Environmental → Air → Unknown EF 3.1 kg 2
0eb52e8a-e3b6-4aed-8771-e4d31af56a42 Environmental → Ground → Agricultural EF 3.1 kg 2
e8a533e6-f827-463b-9672-ec730d210e96 Environmental → Ground → Non-agricultural EF 3.1 kg 2
da2ed0d9-01a9-4811-96db-327ec1fe2d4f Environmental → Ground → Unknown EF 3.1 kg 2
4131daed-4568-4552-a01a-6eb19a2a2f36 Environmental → Water → Long-term EF 3.1 kg 0
5527ac26-58cf-4453-96e7-b802dd83b683 Environmental → Water → Ocean EF 3.1 kg 2
09a0fa41-8a35-4b1e-b8e8-35d2aa8d6584 Environmental → Water → Surface water EF 3.1 kg 2
6da8b76a-647f-46ce-beee-b6e313b77315 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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