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CHEBI:59237 - phenolic phthiocerol

ChEBI IDCHEBI:59237
ChEBI Namephenolic phthiocerol
Stars
DefinitionA lipid derived from phthiocerol, having a 4-hydroxyphenyl substituent at the 29-position.
Last Modified23 February 2022
SubmitterSteve
DownloadsMolfile
FormulaC37H68O4
Net Charge0
Average Mass576.947
Monoisotopic Mass576.51176
SMILESCC[C@H](OC)[C@H](C)CCCC[C@@H](O)C[C@@H](O)CCCCCCCCCCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C37H68O4/c1-4-37(41-3)32(2)23-21-22-26-36(40)31-35(39)25-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-33-27-29-34(38)30-28-33/h27-30,32,35-40H,4-26,31H2,1-3H3/t32-,35+,36-,37+/m1/s1
InChIKeyGDIGGEUWHKJEEK-IIVMXCGDSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
phenolic phthiocerol (CHEBI:59237) has parent hydride phthiocerol A (CHEBI:59240)
phenolic phthiocerol (CHEBI:59237) has role epitope (CHEBI:53000)
phenolic phthiocerol (CHEBI:59237) is a phenols (CHEBI:33853)
phenolic phthiocerol (CHEBI:59237) is a phthiocerol derivatives (CHEBI:189847)
phenolic phthiocerol (CHEBI:59237) is a triol (CHEBI:27136)
Incoming Relation(s)
4-(18,20-dihydroxy-26-methoxy-25-methyloctacosyl)phenyl 3,6-di-O-methyl-β-D-Glc-(1→4)-2,3-di-O-methyl-α-L-Rha-(1→2)-3-O-methyl-α-L-Rha (CHEBI:59236) has functional parent phenolic phthiocerol (CHEBI:59237)
IUPAC Name 
(3S,4R,9R,11S)-29-(4-hydroxyphenyl)-3-methoxy-4-methylnonacosane-9,11-diol
Citations