CHEBI:90353 - 2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose

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ChEBI Name 2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose
ChEBI ID CHEBI:90353
ChEBI ASCII Name 2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-alpha,alpha-trehalose
Definition A sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2S,4S,6S,8S)-2,4,6,8-tetramethyltriacontanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C62H116O16S
Net Charge 0
Average Mass 1149.650
Monoisotopic Mass 1148.79841
InChI InChI=1S/C62H116O16S/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-30-32-34-36-38-40-47(3)42-48(4)43-49(5)44-50(6)60(69)76-57-55(67)52(46-64)74-62(77-61-58(78-79(70,71)72)56(68)54(66)51(45-63)73-61)59(57)75-53(65)41-39-37-35-33-31-28-20-18-16-14-12-10-8-2/h44,47-49,51-52,54-59,61-64,66-68H,7-43,45-46H2,1-6H3,(H,70,71,72)/b50-44+/t47-,48-,49-,51+,52+,54+,55+,56-,57-,58+,59+,61+,62+/m0/s1
InChIKey GLJUBKGTIIHCAK-JQTOCHDZSA-N
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)OC(/C(=C/[C@H](C[C@H](C[C@H](CCCCCCCCCCCCCCCCCCCCCC)C)C)C)/C)=O)OC(CCCCCCCCCCCCCCC)=O
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via 2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-alpha,alpha-trehalose )
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ChEBI Ontology
Outgoing 2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose (CHEBI:90353) has functional parent α,α-trehalose (CHEBI:16551)
2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose (CHEBI:90353) has role allergen (CHEBI:50904)
2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose (CHEBI:90353) is a polyacyl α,α-trehalose derivative (CHEBI:62552)
2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α,α-trehalose (CHEBI:90353) is a sulfoglycolipid (CHEBI:26829)
IUPAC Name
2-O-sulfo-α-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α-D-glucopyranoside
Synonyms Sources
2-O-sulfo-α-D-glucopyranosyl 2-O-palmitoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltriacont-2-enoyl]-α-D-glucopyranoside IUPAC
SL-37 ChEBI
SL37 ChEBI
sulfoglycolipid 37 ChEBI
sulfoglycolipid-37 ChEBI
Citations Waiting for Citations Types Sources
26466957 PubMed citation Europe PMC
31694911 PubMed citation Europe PMC
Last Modified
07 January 2020