| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:14:17 UTC |
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| Update Date | 2020-05-11 20:54:25 UTC |
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| BMDB ID | BMDB0004979 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Glucosylceramide (d18:1/25:0) |
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| Description | GlcCer(d18:1/25:0), also known as ganglioside GL1A or gaucher cerebroside, belongs to the class of organic compounds known as asparagine and derivatives. Asparagine and derivatives are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. GlcCer(d18:1/25:0) is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| N-[(2S,3R,4E)-3-Hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]pentacosanimidate | HMDB | | 1-O-b-D-Glucopyranosyl-ceramide | HMDB | | 1-O-beta-delta-Glucopyranosyl-ceramide | HMDB | | Ganglioside GL1a | HMDB | | Gaucher cerebroside | HMDB | | GLC-beta1->1'cer | HMDB | | GlcCeramide | HMDB | | Glucocerebroside | HMDB | | Glucosylceramide | HMDB |
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| Chemical Formula | C49H95NO8 |
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| Average Molecular Weight | 826.2805 |
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| Monoisotopic Molecular Weight | 825.705769021 |
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| IUPAC Name | N-[(2S,3R,4E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]pentacosanamide |
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| Traditional Name | N-[(2S,3R,4E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]pentacosanamide |
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| CAS Registry Number | 85305-87-9 |
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| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C49H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-45(53)50-42(41-57-49-48(56)47(55)46(54)44(40-51)58-49)43(52)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,42-44,46-49,51-52,54-56H,3-35,37,39-41H2,1-2H3,(H,50,53)/b38-36+/t42-,43+,44+,46+,47-,48+,49+/m0/s1 |
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| InChI Key | RIGGIBNQNREJCL-ZVFXBQQRSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as asparagine and derivatives. Asparagine and derivatives are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Asparagine and derivatives |
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| Alternative Parents | |
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| Substituents | - Asparagine or derivatives
- Alpha-amino acid
- L-alpha-amino acid
- Medium-chain fatty acid
- Amino fatty acid
- Dicarboxylic acid or derivatives
- Fatty acyl
- Fatty acid
- Fatty amide
- N-acyl-amine
- Carboxamide group
- Amino acid
- Secondary carboxylic acid amide
- Carboxylic acid
- Organooxygen compound
- Primary aliphatic amine
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organic oxygen compound
- Amine
- Organic nitrogen compound
- Organonitrogen compound
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Endosome
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Insoluble | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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