CHEBI:87979 - (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate

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ChEBI Name (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate ChEBI ID CHEBI:87979 ChEBI ASCII Name (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate Definition A C79 α-mycolate having a C53 meromycolic chain with two cis cyclopropyl functions and a saturated C26 α-branch. It is produced by Mycobacterium tuberculosis H37Ra. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C79H153O3 Net Charge -1 Average Mass 1151.061 Monoisotopic Mass 1150.18252 InChI InChI=1S/C79H154O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-31-35-39-43-51-57-63-69-77(79(81)82)78(80)70-64-58-52-44-40-36-32-28-30-34-38-42-48-54-60-66-74-72-76(74)68-62-56-50-46-45-49-55-61-67-75-71-73(75)65-59-53-47-41-37-33-29-26-20-18-16-14-12-10-8-6-4-2/h73-78,80H,3-72H2,1-2H3,(H,81,82)/p-1/t73?,74?,75?,76?,77-,78-/m1/s1 InChIKey VMDMJBCINRGMES-ADZVEYNVSA-M SMILES C(CCCCCCCCC1C(CCCCCCCCCCC2C(CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C([O-])=O)CCCCCCCCCCCCCCCCCCCCCCCC)C2)C1)CCCCCCCCCC Metabolite of Species Details Mycobacterium tuberculosis H37Ra (NCBI:txid419947) of strain H37Ra See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate (CHEBI:87979) has role bacterial metabolite (CHEBI:76969) (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate (CHEBI:87979) is a an α-mycolic acid (CHEBI:87902) (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate (CHEBI:87979) is a hydroxy fatty acid anion (CHEBI:59835) (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate (CHEBI:87979) is conjugate base of (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoic acid (CHEBI:88131) Incoming (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoic acid (CHEBI:88131) is conjugate acid of (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate (CHEBI:87979) IUPAC Name (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate Synonyms Sources (2R)-2-[(1R)-1-hydroxy-18-{2-[10-(2-nonadecylcyclopropyl)decyl]cyclopropyl}octadecyl]hexacosanoate UniProt C79 α-mycolate (C53/C26) SUBMITTER C79 α-mycolate (l=18, m=10, n=17, p=23) SUBMITTER Citation Type Source 97292 PubMed citation Europe PMC Last Modified 06 October 2015