CHEBI:28941 - docosanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name docosanoic acid
ChEBI ID CHEBI:28941
Definition A straight-chain, C22, long-chain saturated fatty acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3003, CHEBI:25463
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C22H44O2
Net Charge 0
Average Mass 340.58360
Monoisotopic Mass 340.334
InChI InChI=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)
InChIKey UKMSUNONTOPOIO-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(O)=O
Metabolite of Species Details
Neolitsea daibuensis (IPNI:466954-1) Found in root (BTO:0001188). Cold MeOH extract of dried root, obtained as a mixture of stearic acid and docosanoic acid See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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↔1ʼ)-N-(docosanoyl)hexadecasphingosine (CHEBI:132453) has functional parent docosanoic acid (CHEBI:28941)
β-D-galactosyl-(1↔1ʼ)-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132459) has functional parent docosanoic acid (CHEBI:28941)
β-D-galactosyl-(1↔1ʼ)-N-docosanoylsphinganine (CHEBI:84706) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-(1↔1ʼ)-N-(docosanoyl)hexadecasphingosine (CHEBI:132454) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-(1↔1ʼ)-N-docosanoyl-(4E,14Z)-sphingadienine (CHEBI:132461) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-(1↔1ʼ)-N-docosanoyl-14-methylhexadecasphingosine (CHEBI:132779) has functional parent docosanoic acid (CHEBI:28941)
β-D-glucosyl-(1↔1ʼ)-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)
(3R)-3,22-dihydroxybehenic acid (CHEBI:79298) has functional parent docosanoic acid (CHEBI:28941)
(3R,21R)-3,21-dihydroxybehenic acid (CHEBI:79254) 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-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-(1ʼ-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)
N-(docosanoyl)-1-(2',3',4',6'-tetraacetylβ-D-galactosyl)-3-acetylsphingosine (CHEBI:136366) 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:123116) 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)
behenoyl-CoA (CHEBI:65088) has functional parent docosanoic acid (CHEBI:28941)
behenoyl-CoA(4−) (CHEBI:65059) has functional parent docosanoic acid (CHEBI:28941)
cholesteryl behenate (CHEBI:84352) has functional parent docosanoic acid (CHEBI:28941)
behenate (CHEBI:23858) is conjugate base of docosanoic acid (CHEBI:28941)
IUPAC Name
docosanoic acid
Synonyms Sources
1-docosanoic acid ChEBI
Behenic acid KEGG COMPOUND
Behenic acid KEGG COMPOUND
Behensäure ChEBI
CH3‒[CH2]20‒COOH IUPAC
docosanic acid ChEBI
Docosanoate KEGG COMPOUND
Docosanoic acid KEGG COMPOUND
Docosansäure ChEBI
docosoic acid ChEBI
Dokosansäure ChEBI
Heneicosansäure ChEBI
n-docosanoic acid NIST Chemistry WebBook
Manual Xrefs Databases
3855 DrugCentral
C00001211 KNApSAcK
C08281 KEGG COMPOUND
LMFA01010022 LIPID MAPS
View more database links
Registry Numbers Types Sources
112-85-6 CAS Registry Number ChemIDplus
112-85-6 CAS Registry Number NIST Chemistry WebBook
1792887 Reaxys Registry Number Reaxys
1792887 Beilstein Registry Number Beilstein
232293 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
11124748 PubMed citation Europe PMC
12357383 PubMed citation Europe PMC
15716582 PubMed citation Europe PMC
20565070 PubMed citation Europe PMC
Last Modified
19 January 2018
General Comments
2011-01-14 It is an important constituent of the behen oil extracted from the seeds of the Ben-oil tree, and it is so named from the Persian month Bahman when the roots of this tree were harvested. -- Wikipedia.
2011-01-14 It is reported to have antioxidant and cholesterol-raising properties.