CHEBI:59240 - phthiocerol

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ChEBI Name phthiocerol
ChEBI ID CHEBI:59240
Definition A lipid-based glycol consisting of (3S,4R)-3-methoxy-4-methylnonacosane having (9R)- and (11S)-hydroxy substituents; a characteristic constituent of the waxes of tubercule bacilli.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H64O3
Net Charge 0
Average Mass 484.83810
Monoisotopic Mass 484.486
InChI InChI=1S/C31H64O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(32)27-30(33)26-23-22-24-28(3)31(6-2)34-4/h28-33H,5-27H2,1-4H3/t28-,29+,30-,31+/m1/s1
InChIKey HLQGVSDAPGNBGG-ITGKQZKFSA-N
SMILES CCCCCCCCCCCCCCCCCC[C@H](O)C[C@H](O)CCCC[C@@H](C)[C@H](CC)OC
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing phthiocerol (CHEBI:59240) has role epitope (CHEBI:53000)
phthiocerol (CHEBI:59240) is a glycol (CHEBI:13643)
phthiocerol (CHEBI:59240) is a lipid (CHEBI:18059)
Incoming phenolic phthiocerol (CHEBI:59237) has parent hydride phthiocerol (CHEBI:59240)
IUPAC Name
(3S,4R,9R,11S)-3-methoxy-4-methylnonacosane-9,11-diol
Citation Waiting for Citations Type Source
6193065 PubMed citation Europe PMC
Last Modified
23 August 2016