(R)-pantothenate

Chemical Formula:

C₉H₁₆NO₅

Molecular Weight:

218.229 Daltons

Monoisotopic Mass:

219.11067266140003 Daltons

SMILES:

CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]

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)/p-1/t7-/m0/s1

InChIKey:

GHOKWGTUZJEAQD-ZETCQYMHSA-M

Synonyms

Databases

MetaCyc: PANTOTHENATE

RefMet: Pantothenic acid

BiGG: pnto__R

HMDB: HMDB00210

ChemSpider: 146912

Wikipedia: Vitamin_B5

PubChem (CID): 167945 6613

ChEBI: 29032 46905 7916

KEGG: C00864

CAS: 79-83-4

MediaDB: compounds/799/

Seed: cpd00644

MetaNetX: MNXM364

PupChem (SID): 4121

CHEMBL: CHEMBL1594

KNApSAcK: C00001550

PDB-CCD: PAU

3DMET: B00193

NIKKAJI: J4.242K