Summary

IMPPAT Phytochemical identifier: IMPHY007151

Phytochemical name: Pantothenic acid

Synonymous chemical names:
pantothenic acid, pantothenic acids, pantothenic-acid, vitamin b5

External chemical identifiers:
CID:6613, ChEMBL:CHEMBL1594, ChEBI:46905, ZINC:ZINC000005356910, FDASRS:19F5HK2737, SureChEMBL:SCHEMBL5436, MolPort-006-110-266

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Chemical structure information

SMILES:
OCC([C@H](C(=O)NCCC(=O)O)O)(C)C

InChI:
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1

InChIKey:
GHOKWGTUZJEAQD-ZETCQYMHSA-N

DeepSMILES:
OCC[C@H]C=O)NCCC=O)O))))))O))C)C

Functional groups:
CC(=O)O, CNC(C)=O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Dipeptides

NP-Likeness score: 0.5

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Chemical structure download