CHEBI:202825 - Octahydroheptaprenyl mycolic acyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Octahydroheptaprenyl mycolic acyl ester
ChEBI ID CHEBI:202825
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C93H178O3
Net Charge 0
Average Mass 1344.444
Monoisotopic Mass 1343.37760
InChI InChI=1S/C93H178O3/c1-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-53-55-57-59-61-81-92(94)91(80-60-58-56-54-52-50-48-46-28-26-24-22-20-18-16-14-12-2)93(95)96-83-82-90(10)79-67-78-89(9)77-66-76-88(8)75-65-74-87(7)73-64-72-86(6)71-63-70-85(5)69-62-68-84(3)4/h33-34,76,78,82,84-87,91-92,94H,11-32,35-75,77,79-81,83H2,1-10H3/b34-33-,88-76-,89-78-,90-82-
InChIKey PKRWEVLTIROLCB-XTAAYNLOSA-N
SMILES O=C(OC/C=C(\CC/C=C(\CC/C=C(\CCCC(CCCC(CCCC(CCCC(C)C)C)C)C)/C)/C)/C)C(C(O)CCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC
Metabolite of Species Details
Mycolicibacterium chlorophenolicum (NCBI:txid37916) See: PubMed
ChEBI Ontology
Outgoing Octahydroheptaprenyl mycolic acyl ester (CHEBI:202825) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
[(2Z,6Z,10Z)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10-trienyl] (Z)-3-hydroxy-2-nonadecylnonatriacont-24-enoate
Manual Xref Database
78444029 ChemSpider
View more database links