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CHEBI:16454 - pantothenate

ChEBI IDCHEBI:16454
ChEBI Namepantothenate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group.
Secondary ChEBI IDsCHEBI:14739, CHEBI:25846
Last Modified10 June 2015
DownloadsMolfile
FormulaC9H16NO5
Net Charge-1
Average Mass218.229
Monoisotopic Mass218.10340
SMILESCC(C)(CO)C(O)C(=O)NCCC(=O)[O-]
InChIInChI=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
InChIKeyGHOKWGTUZJEAQD-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Chlamydomonas reinhardtii (ncbitaxon:3055) - PubMed (25515814)
Roles Classification
Biological Role:
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
ChEBI Ontology
Outgoing Relation(s)
pantothenate (CHEBI:16454) has role algal metabolite (CHEBI:84735)
pantothenate (CHEBI:16454) is a monocarboxylic acid anion (CHEBI:35757)
pantothenate (CHEBI:16454) is conjugate base of pantothenic acid (CHEBI:7916)
Incoming Relation(s)
(R)-pantothenate (CHEBI:29032) is a pantothenate (CHEBI:16454)
pantothenic acid (CHEBI:7916) is conjugate acid of pantothenate (CHEBI:16454)
IUPAC Name 
3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
Synonym  Source
N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-β-alaninateChEBI
UniProt Name  Source
pantothenateUniProt
Citations