Consensus flow list

Trisodium Mono-(5-(1,2-dihydroxethyl)-4-oxido-2-oxo-2,5-dihydro-furan-3-yl)phosphate

fo-7a0fd16361f70642

Identity

Type
Chemical salt
CAS
66170-10-3
EC
425-180-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Trisodium Mono-(5-(1,2-dihydroxethyl)-4-oxido-2-oxo-2,5-dihydro-furan-3-yl)phosphate

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

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YRWWOAFMPXPHEJ-OFBPEYICSA-K
InChI2D string chemrof:inchi2d_string InChI=1S/C6H9O9P.3Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;/q;3*+1/p-3/t2-,4+;;;/m0.../s1
Isomeric SMILES string chemrof:isomeric_smiles_string [H][C@]1([C@@H](O)CO)OC(=O)C(OP(=O)([O-])[O-])=C1[O-].[Na+].[Na+].[Na+]
Molecular formula chemrof:molecular_formula C6H6Na3O9P, C6H6O9P.3Na
Molecular mass chemrof:molecular_mass 322.049
Monoisotopic mass chemrof:monoisotopic_mass 321.94425, 321.944251
SMILES string chemrof:smiles_string O=C1OC(C(O)CO)C([O-])=C1OP(=O)([O-])[O-].[Na+].[Na+].[Na+]

Known URLs

15

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=66170-10-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81687 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18341 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10746160 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18379041 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18391439 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18520139 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18552525 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20367669 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30659923 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31898408 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31981829 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32048509 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32222244 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33000315 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
9bf9d3bf-3315-4d8d-a65b-699b83b8907b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d9f28703-9a02-44b7-97ab-e171e159d7ef Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
32f28043-82e6-496a-9034-a7e117825274 Environmental → Air → Indoor EF 3.1 kg 4
1849bc48-b43b-4f84-a685-34f0fe4b7ced Environmental → Air → Long-term EF 3.1 kg 0
cd96e389-b8ad-46b8-8dd0-42b0f8722f8b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
83e65ec5-c687-43db-adc1-c3d5d1c7098e Environmental → Air → Unknown EF 3.1 kg 4
6bc18e96-0a4e-478d-b12d-1cb4e38587f4 Environmental → Ground → Agricultural EF 3.1 kg 4
af1bbe59-346c-4842-9b56-d9786f3d550e Environmental → Ground → Non-agricultural EF 3.1 kg 4
77c4acbe-fdc2-44d7-8c26-a4688c41c356 Environmental → Ground → Unknown EF 3.1 kg 4
b386d1c0-66d9-4642-a979-bf1f784136fe Environmental → Water → Long-term EF 3.1 kg 0
ece06343-568d-41e2-9f96-ef30cbd036dc Environmental → Water → Ocean EF 3.1 kg 4
75e102a5-bc67-4911-8739-55657235cf7a Environmental → Water → Surface water EF 3.1 kg 4
7a127f70-eebf-4412-b1e2-d96421580434 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7a0fd16361f70642",
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