Concept information
Preferred term
2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C46H86O16S
has_role
inchi
- InChI=1S/C46H86O16S/c1-3-5-7-9-11-13-15-17-18-20-22-23-25-27-29-31-37(49)59-42-40(52)36(34-48)58-46(61-45-43(62-63(54,55)56)41(53)39(51)35(33-47)57-45)44(42)60-38(50)32-30-28-26-24-21-19-16-14-12-10-8-6-4-2/h35-36,39-48,51-53H,3-34H2,1-2H3,(H,54,55,56)/t35-,36-,39-,40-,41+,42+,43-,44-,45-,46-/m1/s1
inchikey
- XNPWCOIPZGRNBQ-HUWVXOONSA-N
is_conjugate_acid_of
mass
- 927.23000
monoisotopicmass
- 926.56366
smiles
- CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC
subset
- 3_STAR
synonym EXACT
- 2-O-hexadecanoyl-3-O-octadecanoyl-alpha-D-glucopyranosyl 2-O-sulfo-alpha-D-glucopyranoside
synonym RELATED
- 2-hexadecanoyl-3-octadecanoyl-2'-sulfo-alpha,alpha-trehalose
- 2-O-palmitoyl-3-O-stearoyl-2'-O-sulfo-alpha,alpha-trehalose
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:85345
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