Summary

IMPPAT Phytochemical identifier: IMPHY010441

Phytochemical name: O-sialic acid

Synonymous chemical names:
sialic acid

External chemical identifiers:
CID:444885, ChEMBL:CHEMBL1234621, ChEBI:49026, ZINC:ZINC000004081651, FDASRS:04A90EXP8V, SureChEMBL:SCHEMBL79085, MolPort-047-346-211

---

Chemical structure information

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

InChI:
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1

InChIKey:
SQVRNKJHWKZAKO-YRMXFSIDSA-N

DeepSMILES:
OC[C@H][C@H][C@@H]O[C@]O)C[C@@H][C@H]6NC=O)C))))O)))C=O)O)))))O))O

Functional groups:
CC(=O)NC, CO, C[C@@](O)(OC)C(=O)O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

---

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: Carbohydrates

NP Classifier Superclass: Aminosugars and aminoglycosides

NP Classifier Class: Aminosugars

NP-Likeness score: 1.575

---

Chemical structure download