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CHEBI:39248 - henicosanoic acid

ChEBI IDCHEBI:39248
ChEBI Namehenicosanoic acid
Stars
DefinitionA long-chain fatty acid that is henicosane in which one of the methyl groups has been oxidised to give the corresponding carboxylic acid.
Last Modified24 September 2019
Submitterunwin305
DownloadsMolfile
FormulaC21H42O2
Net Charge0
Average Mass326.565
Monoisotopic Mass326.31848
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
InChIKeyCKDDRHZIAZRDBW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
henicosanoic acid (CHEBI:39248) is a long-chain fatty acid (CHEBI:15904)
henicosanoic acid (CHEBI:39248) is a straight-chain saturated fatty acid (CHEBI:39418)
henicosanoic acid (CHEBI:39248) is conjugate acid of henicosanoate (CHEBI:78797)
Incoming Relation(s)
N-(heneicosanoyl)-[(4E,6E)-tetradecasphingadienine]-1-phosphoethanolamine (CHEBI:86524) has functional parent henicosanoic acid (CHEBI:39248)
N-(heneicosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine (CHEBI:86522) has functional parent henicosanoic acid (CHEBI:39248)
N-heneicosanoylsphingosine-1-phosphocholine (CHEBI:84484) has functional parent henicosanoic acid (CHEBI:39248)
N-henicosanoyl-14-methylhexadecasphingosine (CHEBI:131534) has functional parent henicosanoic acid (CHEBI:39248)
N-henicosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:119470) has functional parent henicosanoic acid (CHEBI:39248)
N-henicosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71375) has functional parent henicosanoic acid (CHEBI:39248)
N-henicosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:119574) has functional parent henicosanoic acid (CHEBI:39248)
N-henicosanoylsphingadienine-1-phosphocholine (CHEBI:136387) has functional parent henicosanoic acid (CHEBI:39248)
N-henicosanoylsphinganine-1-phosphocholine (CHEBI:85016) has functional parent henicosanoic acid (CHEBI:39248)
2-hydroxyhenicosanoic acid (CHEBI:84857) has functional parent henicosanoic acid (CHEBI:39248)
20-hydroxyhenicosanoic acid (CHEBI:140696) has functional parent henicosanoic acid (CHEBI:39248)
20-methylhenicosanoic acid (CHEBI:84901) has functional parent henicosanoic acid (CHEBI:39248)
21-hydroxyhenicosanoic acid (CHEBI:79195) has functional parent henicosanoic acid (CHEBI:39248)
methyl henicosanoate (CHEBI:144356) has functional parent henicosanoic acid (CHEBI:39248)
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/21:0) (CHEBI:84986) has functional parent henicosanoic acid (CHEBI:39248)
β-D-galactosyl-(1↔1')-N-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132457) has functional parent henicosanoic acid (CHEBI:39248)
β-D-glucosyl-(1↔1')-N-henicosanoyl-(4E,14Z)-sphingadienine (CHEBI:132458) has functional parent henicosanoic acid (CHEBI:39248)
β-D-glucosyl-(1↔1')-N-henicosanoyl-14-methylhexadecasphingosine (CHEBI:132783) has functional parent henicosanoic acid (CHEBI:39248)
henicosanoate (CHEBI:78797) is conjugate base of henicosanoic acid (CHEBI:39248)
IUPAC Name 
henicosanoic acid
Synonyms  Source
n-heneicosanoic acidNIST Chemistry WebBook
HeneicosansäureChEBI
n-henicosanoic acidChEBI
heneicosylic acidChEBI
n-heneicosylic acidChEBI
C21:0ChEBI
Manual XrefsDatabases
LMFA01010021LIPID MAPS
Registry NumbersSources
Reaxys:1711889Reaxys
CAS:2363-71-5NIST Chemistry WebBook
CAS:2363-71-5ChemIDplus
Citations