| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:20:05 UTC |
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| Update Date | 2020-04-22 15:02:07 UTC |
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| BMDB ID | BMDB0000140 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Glucosylceramide |
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| Description | Glucosylceramide, also known as beta-galcer or galcer(D18:1/24:0), belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Glucosylceramide is a moderately basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| beta-GalCer | ChEBI | | Galbeta-cer(D18:1/24:0) | ChEBI | | GalCer(D18:1/24:0) | ChEBI | | b-GalCer | Generator | | Β-galcer | Generator | | b-D-Galactosyl-N-(tetracosanoyl)sphingosine | Generator | | β-D-galactosyl-N-(tetracosanoyl)sphingosine | Generator | | Kerasin | MeSH | | Cerasine | MeSH | | beta-D-Galactosyl-N-(N-acyl)-D-sphingosine | MeSH |
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| Chemical Formula | C48H93NO8 |
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| Average Molecular Weight | 812.2539 |
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| Monoisotopic Molecular Weight | 811.690118957 |
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| IUPAC Name | N-[(2S,3R,4E)-3-hydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]tetracosanimidic acid |
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| Traditional Name | glucosylceramide |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1 |
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| InChI Key | POQRWMRXUOPCLD-HIIAJUEOSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Estrane steroids |
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| Direct Parent | Estrogens and derivatives |
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| Alternative Parents | |
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| Substituents | - Estrogen-skeleton
- 3-hydroxysteroid
- Hydroxysteroid
- 17-oxosteroid
- Oxosteroid
- Phenanthrene
- Tetralin
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Ketone
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic compounds |
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| External Descriptors | |
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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 | Not Available | 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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