EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232029 - exophillate

ChEBI IDCHEBI:232029
ChEBI Nameexophillate
Stars
DefinitionA monohydroxybenzoate that is the conjugate base of exophillic acid resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3.
Last Modified3 October 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC38H55O12
Net Charge-1
Average Mass703.846
Monoisotopic Mass703.36990
SMILESCCCCCCCCCc1cc(OC(=O)c2c(CCCCCCCCC)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)[O-]
InChIInChI=1S/C38H56O12/c1-3-5-7-9-11-13-15-17-24-19-26(40)21-29(49-38-35(44)34(43)33(42)30(23-39)50-38)32(24)37(47)48-27-20-25(31(36(45)46)28(41)22-27)18-16-14-12-10-8-6-4-2/h19-22,30,33-35,38-44H,3-18,23H2,1-2H3,(H,45,46)/p-1/t30-,33-,34+,35-,38-/m1/s1
InChIKeyGBXMNTLQBMLGFM-IHQQTPIISA-M
ChEBI Ontology
Outgoing Relation(s)
exophillate (CHEBI:232029) is a monohydroxybenzoate (CHEBI:25388)
exophillate (CHEBI:232029) is conjugate base of exophillic acid (CHEBI:232062)
Incoming Relation(s)
exophillic acid (CHEBI:232062) is conjugate acid of exophillate (CHEBI:232029)
IUPAC Name 
4-{[2-(β-D-glucopyranosyloxy)-4-hydroxy-6-nonylbenzoyl]oxy}-2-hydroxy-6-nonylbenzoate
Synonyms  Source
4-(2-β-D-glucopyranosyloxy-4-hydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoateChEBI
exophillic acid anionChEBI
exophillic acid(1−)ChEBI
UniProt Name  Source
exophillateUniProt
Citations