Summary

IMPPAT Phytochemical identifier: IMPHY004703

Phytochemical name: D-Erythronolactone

Synonymous chemical names:
2-c-hydroxy-methyl-d-erythrono-1,4-lactone

External chemical identifiers:
CID:5325915, ChEMBL:CHEMBL113716, ChEBI:87625, ZINC:ZINC000004521480, SureChEMBL:SCHEMBL818248, MolPort-003-847-092

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Chemical structure information

SMILES:
O[C@@H]1[C@H](O)COC1=O

InChI:
InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s1

InChIKey:
SGMJBNSHAZVGMC-PWNYCUMCSA-N

DeepSMILES:
O[C@@H][C@H]O)COC5=O

Functional groups:
CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP-Likeness score: 2.282

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Chemical structure download