Basic information
- CAS
127842-89-1- Standard SMILES
CCCCCCCCC/C=C/CC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCC- InChIKey
VCLOTRNDBUPTQD-ZNPGVSGMSA-N- Molecular formula
- C40H75NO8
- Average molar mass
- 698 g/mol
- Monoisotopic mass
- 697.54926835
Overview
N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucoside is a glycosylceramide.
Names & identifiers
- Preferred name
- N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucoside
- IUPAC
- N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
Names & synonyms
N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucosideCHEBI:178167HexCer 18:2;2O/16:0N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
Database identifiers
- CAS
127842-89-1- PubChem CID
- 14522366
- ChEBI
CHEBI:178167
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 32
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 824
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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