CHEBI:142478 - 2-O-sulfo-2ʼ-O-stearoyl-α,α-trehalose(1−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-O-sulfo-2ʼ-O-stearoyl-α,α-trehalose(1−)
ChEBI ID CHEBI:142478
ChEBI ASCII Name 2-O-sulfo-2'-O-stearoyl-alpha,alpha-trehalose(1-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H55O15S
Net Charge -1
Average Mass 687.816
Monoisotopic Mass 687.32672
InChI InChI=1S/C30H56O15S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(33)43-27-25(36)23(34)20(18-31)41-29(27)44-30-28(45-46(38,39)40)26(37)24(35)21(19-32)42-30/h20-21,23-32,34-37H,2-19H2,1H3,(H,38,39,40)/p-1/t20-,21-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1
InChIKey FJSYDIDIVMGPGY-VEFFTAHGSA-M
SMILES [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OS(=O)([O-])=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(CCCCCCCCCCCCCCCCC)=O
ChEBI Ontology
Outgoing 2-O-sulfo-2ʼ-O-stearoyl-α,α-trehalose(1−) (CHEBI:142478) has functional parent α,α-trehalose (CHEBI:16551)
2-O-sulfo-2ʼ-O-stearoyl-α,α-trehalose(1−) (CHEBI:142478) is a organosulfate oxoanion (CHEBI:58958)
2-O-sulfo-2ʼ-O-stearoyl-α,α-trehalose(1−) (CHEBI:142478) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
2-O-sulfo-2ʼ-O-stearoyl-α,α-trehalose(1−) (CHEBI:142478) is a trehalose sulfate (CHEBI:60117)
Synonym Source
2-O-sulfo-2ʼ-O-octadecanoyl-α,α-trehalose UniProt
Manual Xref Database
CPD-18713 MetaCyc accession
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Citations Waiting for Citations Types Sources
17592143 PubMed citation SUBMITTER
22194604 PubMed citation SUBMITTER