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CHEBI:45919 - tridecanoic acid

ChEBI IDCHEBI:45919
ChEBI Nametridecanoic acid
Stars
DefinitionA C13 straight-chain saturated fatty acid.
Secondary ChEBI IDsCHEBI:39247, CHEBI:45916
Last Modified23 October 2015
Submitterunwin305
DownloadsMolfile
FormulaC13H26O2
Net Charge0
Average Mass214.349
Monoisotopic Mass214.19328
SMILESCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeySZHOJFHSIKHZHA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
tridecanoic acid (CHEBI:45919) has role plant metabolite (CHEBI:76924)
tridecanoic acid (CHEBI:45919) is a long-chain fatty acid (CHEBI:15904)
tridecanoic acid (CHEBI:45919) is a straight-chain saturated fatty acid (CHEBI:39418)
tridecanoic acid (CHEBI:45919) is conjugate acid of tridecanoate (CHEBI:125832)
Incoming Relation(s)
(12R)-12-hydroxytridecanoic acid (CHEBI:78980) has functional parent tridecanoic acid (CHEBI:45919)
N-tridecanoylglycine (CHEBI:74437) has functional parent tridecanoic acid (CHEBI:45919)
N-tridecanoylsphingosine-1-phosphocholine (CHEBI:85023) has functional parent tridecanoic acid (CHEBI:45919)
1-tridecanoyl-2-undecanoyl-sn-glycero-3-phosphocholine (CHEBI:86280) has functional parent tridecanoic acid (CHEBI:45919)
1-undecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine (CHEBI:86278) has functional parent tridecanoic acid (CHEBI:45919)
13-hydroxytridecanoic acid (CHEBI:79166) has functional parent tridecanoic acid (CHEBI:45919)
2-hydroxytridecanoic acid (CHEBI:84852) has functional parent tridecanoic acid (CHEBI:45919)
tridecanoic-d25 acid (CHEBI:75084) has functional parent tridecanoic acid (CHEBI:45919)
tridecanoyl-CoA (CHEBI:85029) has functional parent tridecanoic acid (CHEBI:45919)
tridecanoate (CHEBI:125832) is conjugate base of tridecanoic acid (CHEBI:45919)
IUPAC Name 
tridecanoic acid
Synonyms  Source
tridecylic acidChemIDplus
n-tridecanoic acidChemIDplus
N-TRIDECANOIC ACIDPDBeChem
n-tridecoic acidChemIDplus
C13:0ChEBI
Manual XrefsDatabases
LMFA01010013LIPID MAPS
TDAPDBeChem
DB02448DrugBank
C00007422KNApSAcK
C17076KEGG COMPOUND
Registry NumbersSources
Reaxys:508317Reaxys
CAS:638-53-9NIST Chemistry WebBook
CAS:638-53-9ChemIDplus
CAS:638-53-9KEGG COMPOUND