Summary

IMPPAT Phytochemical identifier: IMPHY013051

Phytochemical name: 2-C-methyl-D-erythritol

Synonymous chemical names:
2-c-me-d-erythritol, 2-c-methyl-d-erythritol

External chemical identifiers:
CID:11400799, ZINC:ZINC000014590537, SureChEMBL:SCHEMBL346603

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Chemical structure information

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

InChI:
InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m1/s1

InChIKey:
HGVJFBSSLICXEM-UHNVWZDZSA-N

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

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.342

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Chemical structure download