EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28941 - docosanoic acid

ChEBI IDCHEBI:28941
ChEBI Namedocosanoic acid
Stars
DefinitionA straight-chain, C22, long-chain saturated fatty acid.
Secondary ChEBI IDsCHEBI:3003, CHEBI:25463
Last Modified28 May 2021
DownloadsMolfile
FormulaC22H44O2
Net Charge0
Average Mass340.592
Monoisotopic Mass340.33413
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKeyUKMSUNONTOPOIO-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Neolitsea daibuensis (IPNI:466954-1) root (BTO:0001188) PubMed (22148193) Cold MeOH extract of dried root, obtained as a mixture of stearic acid and docosanoic acid
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)
docosanoic acid (CHEBI:28941) has role plant metabolite (CHEBI:76924)
docosanoic acid (CHEBI:28941) is a long-chain fatty acid (CHEBI:15904)
docosanoic acid (CHEBI:28941) is a straight-chain saturated fatty acid (CHEBI:39418)
docosanoic acid (CHEBI:28941) is conjugate acid of behenate (CHEBI:23858)
Incoming Relation(s)
(3R,21R)-3,21-dihydroxybehenic acid (CHEBI:79254) has functional parent docosanoic acid (CHEBI:28941)
(3R)-3,22-dihydroxybehenic acid (CHEBI:79298) has functional parent docosanoic acid (CHEBI:28941)
N-(docosanoyl)-1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphingosine (CHEBI:136366) has functional parent docosanoic acid (CHEBI:28941)
N-(docosanoyl)ethanolamine (CHEBI:146186) has functional parent docosanoic acid (CHEBI:28941)
N-(docosanoyl)heptadecasphingosine-1-phosphocholine (CHEBI:136275) has functional parent docosanoic acid (CHEBI:28941)
N-behenoyl-D-galactosylsphingosine (CHEBI:83868) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine (CHEBI:134550) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-14-methylhexadecasphinganine (CHEBI:131550) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-14-methylhexadecasphinganine-1-phosphocholine (CHEBI:124992) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-14-methylhexadecasphingosine (CHEBI:131538) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-14-methylhexadecasphingosine-1-phosphocholine (CHEBI:123356) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-15-methylhexadecasphing-4-enine (CHEBI:71377) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-15-methylhexadecasphingosine-1-phosphocholine (CHEBI:70910) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoylglycine (CHEBI:87764) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoylsphingadienine-1-phosphocholine (CHEBI:136388) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoylsphinganine (CHEBI:67021) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoylsphingosine (CHEBI:72966) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoylsphingosine-1-phosphate (CHEBI:73138) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoylsphingosine-1-phosphocholine (CHEBI:74532) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyltaurine (CHEBI:156045) has functional parent docosanoic acid (CHEBI:28941)
1-(β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine (CHEBI:75965) has functional parent docosanoic acid (CHEBI:28941)
1-(β-D-galactosyl)-N-behenoylsphingosine (CHEBI:75976) has functional parent docosanoic acid (CHEBI:28941)
1-[(11Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86189) has functional parent docosanoic acid (CHEBI:28941)
1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86190) has functional parent docosanoic acid (CHEBI:28941)
1-behenoylglycerol (CHEBI:142497) has functional parent docosanoic acid (CHEBI:28941)
1-docosanoyl-2-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine (CHEBI:86215) has functional parent docosanoic acid (CHEBI:28941)
1-docosanoyl-2-eicosanoyl-sn-glycero-3-phosphocholine (CHEBI:86210) has functional parent docosanoic acid (CHEBI:28941)
1-docosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86164) has functional parent docosanoic acid (CHEBI:28941)
1-docosanoyl-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:134229) has functional parent docosanoic acid (CHEBI:28941)
1-docosanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine (CHEBI:86103) has functional parent docosanoic acid (CHEBI:28941)
1-docosanoyl-2-tetradecanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:134228) has functional parent docosanoic acid (CHEBI:28941)
1-eicosanoyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86211) has functional parent docosanoic acid (CHEBI:28941)
1-eicosyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86253) has functional parent docosanoic acid (CHEBI:28941)
1-hexadecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86168) has functional parent docosanoic acid (CHEBI:28941)
1-hexadecanoyl-2-docosanoyl-sn-glycerol (CHEBI:87234) has functional parent docosanoic acid (CHEBI:28941)
1-hexadecyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86243) has functional parent docosanoic acid (CHEBI:28941)
1-icosanoyl-2-docosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:136386) has functional parent docosanoic acid (CHEBI:28941)
1-octadecanoyl-2-docosanoyl-sn-glycerol (CHEBI:87241) has functional parent docosanoic acid (CHEBI:28941)
1-octadecyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86251) has functional parent docosanoic acid (CHEBI:28941)
1-pentadecanoyl-2-docosanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:134232) has functional parent docosanoic acid (CHEBI:28941)
1-tetradecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine (CHEBI:86107) has functional parent docosanoic acid (CHEBI:28941)
1-tetradecanoyl-2-docosanoyl-sn-glycero-3-phosphoethanolamine (CHEBI:134077) has functional parent docosanoic acid (CHEBI:28941)
13-(β-D-glucosyloxy)docosanoic acid (CHEBI:36486) has functional parent docosanoic acid (CHEBI:28941)
13-hydroxydocosanoic acid (CHEBI:17314) has functional parent docosanoic acid (CHEBI:28941)
2-hydroxybehenic acid (CHEBI:76980) has functional parent docosanoic acid (CHEBI:28941)
20-methyldocosanoic acid (CHEBI:84878) has functional parent docosanoic acid (CHEBI:28941)
22-hydroxydocosanoic acid (CHEBI:76322) has functional parent docosanoic acid (CHEBI:28941)
22-oxodocosanoic acid (CHEBI:76318) has functional parent docosanoic acid (CHEBI:28941)
3-hydroxydocosanoic acid (CHEBI:52348) has functional parent docosanoic acid (CHEBI:28941)
3-oxodocosanoic acid (CHEBI:52351) has functional parent docosanoic acid (CHEBI:28941)
cholesteryl behenate (CHEBI:84352) has functional parent docosanoic acid (CHEBI:28941)
docosanoyl-CoA (CHEBI:65088) has functional parent docosanoic acid (CHEBI:28941)
docosanoyl-CoA(4−) (CHEBI:65059) has functional parent docosanoic acid (CHEBI:28941)
α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/22:0) (CHEBI:84694) has functional parent docosanoic acid (CHEBI:28941)
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/22:0) (CHEBI:84658) has functional parent docosanoic acid (CHEBI:28941)
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/22:0) (CHEBI:84683) has functional parent docosanoic acid (CHEBI:28941)
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cer(d18:1/22:0) (CHEBI:84679) has functional parent docosanoic acid (CHEBI:28941)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine (CHEBI:84762) has functional parent docosanoic acid (CHEBI:28941)
β-D-galactosyl-(1↔1')-N-(docosanoyl)hexadecasphingosine (CHEBI:132453) has functional parent docosanoic acid (CHEBI:28941)
β-D-galactosyl-(1↔1')-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132459) has functional parent docosanoic acid (CHEBI:28941)
β-D-galactosyl-(1↔1')-N-docosanoylsphinganine (CHEBI:84706) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-(1↔1')-N-(docosanoyl)hexadecasphingosine (CHEBI:132454) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-(1↔1')-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132461) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-(1↔1')-N-docosanoyl-14-methylhexadecasphingosine (CHEBI:132779) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-(1↔1')-N-docosanoylsphinganine (CHEBI:84705) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-N-(docosanoyl)sphingosine (CHEBI:62107) has functional parent docosanoic acid (CHEBI:28941)
behenate (CHEBI:23858) is conjugate base of docosanoic acid (CHEBI:28941)
IUPAC Name 
docosanoic acid
Synonyms  Source
Behenic acidKEGG COMPOUND
Docosanoic acidKEGG COMPOUND
n-docosanoic acidNIST Chemistry WebBook
CH3‒[CH2]20‒COOHIUPAC
BehensäureChEBI
DocosansäureChEBI
Manual XrefsDatabases
C08281KEGG COMPOUND
LMFA01010022LIPID MAPS
C00001211KNApSAcK
HMDB0000944HMDB
Behenic acidWikipedia
3855DrugCentral
EO3PDBeChem
7923ChemSpider
FDB005830FooDB
Registry NumbersSources
Gmelin:232293Gmelin
Reaxys:1792887Reaxys
CAS:112-85-6KEGG COMPOUND
CAS:112-85-6ChemIDplus
CAS:112-85-6NIST Chemistry WebBook
Citations