CHEBI:59240 - phthiocerol A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name phthiocerol A
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 No supplier information found for this compound.
Download Molfile XML SDF
Formula C31H64O3
Net Charge 0
Average Mass 484.83810
Monoisotopic Mass 484.48555
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing phthiocerol A (CHEBI:59240) has role epitope (CHEBI:53000)
phthiocerol A (CHEBI:59240) is a glycol (CHEBI:13643)
phthiocerol A (CHEBI:59240) is a phthiocerol derivatives (CHEBI:189847)
Incoming phenolic phthiocerol (CHEBI:59237) has parent hydride phthiocerol A (CHEBI:59240)
IUPAC Name
(3S,4R,9R,11S)-3-methoxy-4-methylnonacosane-9,11-diol
Manual Xref Database
LMFA05000692 LIPID MAPS
View more database links
Citations Types Sources
13657016 PubMed citation Europe PMC
1871425 PubMed citation Europe PMC
26574042 PubMed citation Europe PMC
6193065 PubMed citation Europe PMC
Last Modified
23 February 2022