Summary

IMPPAT Phytochemical identifier: IMPHY009430

Phytochemical name: 2,5-Dideoxy-2,5-imino-D-mannitol

Synonymous chemical names:
2,5-dihydroxy me-3,4-di-oh-pyrrolidine, 2,5-dihydroxymethyl-3,4-dihydroxypyrrolidine, 25-dihydroxymethyl-34-dihydroxypyrrolidine

External chemical identifiers:
CID:124702, ChEMBL:CHEMBL312653, ChEBI:4289, ZINC:ZINC000001492230, SureChEMBL:SCHEMBL466574

---

Chemical structure information

SMILES:
OC[C@H]1N[C@@H]([C@H]([C@@H]1O)O)CO

InChI:
InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1

InChIKey:
PFYHYHZGDNWFIF-KVTDHHQDSA-N

DeepSMILES:
OC[C@H]N[C@@H][C@H][C@@H]5O))O))CO

Functional groups:
CNC, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNC1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

NP Classifier Biosynthetic pathway: Alkaloids, Carbohydrates

NP Classifier Superclass: Aminosugars and aminoglycosides, Ornithine alkaloids

NP Classifier Class: Aminosugars, Pyrrolidine alkaloids

NP-Likeness score: 1.926

---

Chemical structure download