1,4-Dideoxy-1,4-imino-D-arabinitol
AlkaPlorer ID: AK009322
Synonym: 'D-AB1'
IUPAC Name: (2R,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
Structure
SMILES: OC[C@H]1NC[C@H](O)[C@H]1O
InChI: InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4+,5+/m1/s1
InChIKey: OQEBIHBLFRADNM-WISUUJSJSA-N
Reference
3,4-dihydroxy-2-hydroxymethylpyrrolidine from Arachniodes standishii
PubChem CID: 9877375
LOTUS: LTS0052633
SuperNatural Ⅲ: SN0272324-07
NPASS: NPC65832
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chlorurus gibbus | Chlorurus | Labridae | Labriformes | Actinopteri | Chordata | Metazoa | Eukaryota |
| Agrobacterium aurantiacum | Agrobacterium | Rhizobiaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 133.147
TPSA？: 72.72
MolLogP？: -2.3276999999999988
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Glycogen debranching enzyme | Inhibition | 50.0 | % | 10.1016/j.bmc.2008.01.032 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 3500000.0 | nM | 10.1016/j.bmc.2015.12.036 |
| None | Unchecked | IC50 | 100000.0 | nM | 10.1016/j.bmc.2008.01.032 |