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CHEBI:73722 - hexadecanedioic acid
| Formula | C16H30O4 |
| Net Charge | 0 |
| Average Mass | 286.412 |
| Monoisotopic Mass | 286.21441 |
| SMILES | O=C(O)CCCCCCCCCCCCCCC(=O)O |
| InChI | InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20) |
| InChIKey | QQHJDPROMQRDLA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (4372285) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hexadecanedioic acid (CHEBI:73722) has role human metabolite (CHEBI:77746) |
| hexadecanedioic acid (CHEBI:73722) is a dicarboxylic fatty acid (CHEBI:189840) |
| hexadecanedioic acid (CHEBI:73722) is a α,ω-dicarboxylic acid (CHEBI:28383) |
| hexadecanedioic acid (CHEBI:73722) is conjugate acid of hexadecanedioate(2−) (CHEBI:76276) |
| Incoming Relation(s) |
| (2E)-hexadecenedioyl-CoA (CHEBI:77183) has functional parent hexadecanedioic acid (CHEBI:73722) |
| (3R)-hydroxyhexadecanedioyl-CoA (CHEBI:77189) has functional parent hexadecanedioic acid (CHEBI:73722) |
| (3S)-hydroxyhexadecanedioyl-CoA (CHEBI:77199) has functional parent hexadecanedioic acid (CHEBI:73722) |
| O-(15-carboxypentadecanoyl)carnitine (CHEBI:73081) has functional parent hexadecanedioic acid (CHEBI:73722) |
| 3-oxohexadecanedioyl-CoA (CHEBI:77191) has functional parent hexadecanedioic acid (CHEBI:73722) |
| hexadecanedioyl-CoA (CHEBI:77208) has functional parent hexadecanedioic acid (CHEBI:73722) |
| hexadecanedioate(2−) (CHEBI:76276) is conjugate base of hexadecanedioic acid (CHEBI:73722) |
| IUPAC Name |
|---|
| hexadecanedioic acid |
| Synonyms | Source |
|---|---|
| 1,14-Tetradecanedicarboxylic acid | HMDB |
| 1,16-Hexadecanedioic acid | HMDB |
| Thapsic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| LMFA01170022 | LIPID MAPS |
| HMDB0000672 | HMDB |
| C19615 | KEGG COMPOUND |
| CPD-10511 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1792831 | Reaxys |
| CAS:505-54-4 | ChemIDplus |
| Citations |
|---|