Globotriaosylceramide
PubChem CID
66616222
Structure
Molecular Formula
Synonyms
- Globotriaosylceramide
- globotriosylceramide
- Gb3Cer
- CD77 Antigen
- P(K) Antigen
Molecular Weight
827.9 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2012-11-30
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since too many atoms, too flexible
N-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]acetamide
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C38H69NO18/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(44)22(39-21(2)43)20-52-36-32(50)29(47)34(25(18-41)54-36)57-38-33(51)30(48)35(26(19-42)55-38)56-37-31(49)28(46)27(45)24(17-40)53-37/h15-16,22-38,40-42,44-51H,3-14,17-20H2,1-2H3,(H,39,43)/b16-15+/t22-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+,33+,34+,35-,36+,37+,38-/m0/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
HFQKBOPMAOTAIR-TZSVBWBLSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)NC(=O)C)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C38H69NO18
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- Globotriaosylceramide
- globotriosylceramide
- Gb3Cer
- CD77 Antigen
- P(K) Antigen
- Shiga toxin receptor
- Globotriasoyl ceramide
- Slt-II receptor
- Gb3 Globotriaosylceramide
- VT2 Receptor
- Gal-1-4-gal-1-4-glc-cer
- gal-alpha1->4laccer
- trihexosylceramide
- CHEBI:18313
- Burkitt's lymphoma antigen, bla-CD77
- Galactosyl(alpha1-4)galactosyl(beta1-4)glucosylceramide
- gal-alpha1->4gal-beta1->4glc-beta1->1'cer
- D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
- Ganglioside GA3, O-alpha-D-galactopyranosyl-(1-4B)-
- GbOSe3Cer
- N-((2S,3R,4E)-1-((alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl)oxy)-3-hydroxyoctadec-4-en-2-yl)alkanamide
- N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide
- bla-CD77
- Burkitt's lymphoma antigen
- Epitope ID:153757
- SCHEMBL182663
- globoside Gb3Cer (d18:1(4E))
- Galalpha1-4Galbeta1-4Glcbeta1-1'ceramide
- Q45435675
- alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(11')-Cer
- alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(11')-Cer
- alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
- alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer
- alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide
- alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide
- alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-D-glucosyl-(1<->1)-ceramide
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
827.9 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-0.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
12
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
18
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
25
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
827.45146435 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
827.45146435 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
307 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
57
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1140
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
17
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Globotriaosylceramidehttps://commonchemistry.cas.org/detail?cas_rn=71965-57-6
- ChemIDplusGlobotriaosylceramidehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0071965576ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing
- WikidataN-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]acetamidehttps://www.wikidata.org/wiki/Q45435675
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS