Fr 900483
-
Formula: C5H9NO3
-
Molecular weight: 131.13
-
Smiles: C1=NC(C(C1O)O)CO
Fr 900483
Names
-
Mycotoxin name: Fr 900483
-
First synonym: Nectrisine
-
Synonyms: Nectrisine,108692-47-3,(2R,3R,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol,WF 4490,FR 900483,2H-Pyrrole-3,4-diol,(2R-(2-alpha,3-beta,4-alpha))-3,4-Dihydro-2-(hydroxymethyl)-2H-pyrrole-3,4-diol,DTXSID80910830,2H-Pyrrole, 3,4-diol, 3,4-dihydro-2-(hydroxymethyl)-, (3R-(3alpha,4beta,5alpha))-,2H-Pyrrole-3,4-diol, 3,4-dihydro-2-(hydroxymethyl)-, (2R-(2-alpha,3-beta,4-alpha))-,3,4-dihydroxy-2-(hydroxymethyl)pyrrolidine,3,4-dihydroxy-5-hydroxymethyl-1-pyrroline,2-(Hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol,2H-Pyrrole-3,4-diol, 3,4-dihydro-2-(hydroxymethyl)-, (2R,3R,4R)-,3,4-Dihydro-2-(hydroxymethyl)-,[2R-(2.alpha.,3.beta.,4.alpha.)]-2H-pyrrole-3,4-diol
Identifiers / External links
-
CAS: 136615-83-3,108692-47-3
-
PubChem CID: 122106
-
ChemSpiderID: 108906
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:219637
-
CompTox Chemicals Dashboard (DTXSID): DTXSID80910830
Structure
-
Smiles: C1=NC(C(C1O)O)CO
-
Isomeric smiles: C1=N[C@@H]([C@H]([C@H]1O)O)CO
-
Inchi: InChI=1S/C5H9NO3/c7-2-3-5(9)4(8)1-6-3/h1,3-5,7-9H,2H2/t3-,4+,5-/m1/s1
-
Inchikey: QUPCOXZVKXONSC-MROZADKFSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C5H9NO3
-
Molecular weight: 131.13
-
Monoisotopic mass: 131.058243149
Select an endpoint:
Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Endpoint | Tool | Value | Unit | Comments | Reference |
---|
Fungi
-
Fungi id Species 668 Nectria lucida F-4490