KEGG   COMPOUND: C00864Help
Entry
C00864                      Compound                               

Name
Pantothenate;
Pantothenic acid;
(R)-Pantothenate
Formula
C9H17NO5
Exact mass
219.1107
Mol weight
219.235
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
beta-Alanine metabolism
Pantothenate and CoA biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Vitamin digestion and absorption
Enzyme
2.7.1.33        3.5.1.22        3.5.1.92        6.3.2.1
Brite
Compounds with biological roles [BR:br08001]
 Cofactors
  Vitamins
   Water-soluble vitamins
    C00864  Pantothenic acid (Vitamin B5)
Risk category of Japanese OTC drugs [BR:br08312]
 Category 3
  Inorganic and organic chemicals
   Pantothenic acid
    D07413  Pantothenic acid (BAN)
BRITE hierarchy
Other DBs
CAS: 
79-83-4
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        15
            1   C1c C    23.8085  -15.1444
            2   C1d C    22.5915  -15.8432
            3   C5a C    25.0197  -15.8432
            4   O1a O    23.8085  -13.7469
            5   C1b C    21.3804  -15.1444
            6   C1a C    21.3804  -16.5477
            7   C1a C    23.8085  -16.5477
            8   N1b N    26.2250  -15.1444
            9   O5a O    25.0197  -17.2408
            10  O1a O    20.1633  -15.8432
            11  C1b C    27.4421  -15.8432
            12  C1b C    28.6534  -15.1444
            13  C6a C    29.8645  -15.8432
            14  O6a O    31.0815  -15.1444
            15  O6a O    29.8645  -17.2408
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     5  10 1
            10    8  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   13  15 2

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