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CHEBI:232032 - phaeomoniecin D(1−)

ChEBI IDCHEBI:232032
ChEBI Namephaeomoniecin D(1−)
Stars
ASCII Namephaeomoniecin D(1-)
DefinitionA monohydroxybenzoate that is the conjugate base of phaeomoniecin D resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3.
Last Modified4 October 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC44H65O17
Net Charge-1
Average Mass865.987
Monoisotopic Mass865.42272
SMILESCCCCCCCCCc1cc(OC(=O)c2c(CCCCCCCCC)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)[O-]
InChIInChI=1S/C44H66O17/c1-3-5-7-9-11-13-15-17-25-19-27(21-29(47)33(25)41(54)55)57-42(56)34-26(18-16-14-12-10-8-6-4-2)20-28(58-43-39(52)37(50)35(48)31(23-45)60-43)22-30(34)59-44-40(53)38(51)36(49)32(24-46)61-44/h19-22,31-32,35-40,43-53H,3-18,23-24H2,1-2H3,(H,54,55)/p-1/t31-,32-,35+,36-,37+,38+,39-,40-,43-,44-/m1/s1
InChIKeyRFNVSJROQFSJNW-ZIFFENNXSA-M
ChEBI Ontology
Outgoing Relation(s)
phaeomoniecin D(1−) (CHEBI:232032) is a monohydroxybenzoate (CHEBI:25388)
phaeomoniecin D(1−) (CHEBI:232032) is conjugate base of phaeomoniecin D (CHEBI:232066)
Incoming Relation(s)
phaeomoniecin D (CHEBI:232066) is conjugate acid of phaeomoniecin D(1−) (CHEBI:232032)
IUPAC Name 
4-{[4-(β-D-galactopyranosyloxy)-2-(β-D-glucopyranosyloxy)-6-nonylbenzoyl]oxy}-2-hydroxy-6-nonylbenzoate
Synonym  Source
phaeomoniecin D anionChEBI
UniProt Name  Source
phaeomoniecin DUniProt
Citations