CHEBI:82624 - trehalose 6,6'-dimycolate

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ChEBI Name trehalose 6,6'-dimycolate ChEBI ID CHEBI:82624 Definition A trehalose mycolate compound consisting of two C58 mycolate groups attached to the 6- and 6'-positions of α,α'-trehalose. A mycobacterial cell wall glycolipid. Stars This entity has been manually annotated by the ChEBI Team. Submitter Phani Vijay Garapati Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C130H250O15 Net Charge 0 Average Mass 2053.36700 Monoisotopic Mass 2051.87998 InChI InChI=1S/C130H250O15/c1-5-9-13-17-21-25-29-33-37-41-43-45-47-49-51-53-57-61-65-69-81-89-97-105-117(131)115(103-95-87-79-73-71-77-85-93-101-113-107-111(113)99-91-83-75-67-63-59-55-39-35-31-27-23-19-15-11-7-3)127(139)141-109-119-121(133)123(135)125(137)129(143-119)145-130-126(138)124(136)122(134)120(144-130)110-142-128(140)116(118(132)106-98-90-82-70-66-62-58-54-52-50-48-46-44-42-38-34-30-26-22-18-14-10-6-2)104-96-88-80-74-72-78-86-94-102-114-108-112(114)100-92-84-76-68-64-60-56-40-36-32-28-24-20-16-12-8-4/h111-126,129-138H,5-110H2,1-4H3/t111?,112?,113?,114?,115?,116?,117?,118?,119-,120-,121-,122-,123+,124+,125-,126-,129-,130-/m1/s1 InChIKey XETCRXVKJHBPMK-MJSODCSWSA-N SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCC3CC3CCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O Metabolite of Species Details Mycobacterium tuberculosis (NCBI:txid1773) See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing trehalose 6,6'-dimycolate (CHEBI:82624) has role antineoplastic agent (CHEBI:35610) trehalose 6,6'-dimycolate (CHEBI:82624) has role bacterial metabolite (CHEBI:76969) trehalose 6,6'-dimycolate (CHEBI:82624) is a polyacyl α,α-trehalose (CHEBI:62547) trehalose 6,6'-dimycolate (CHEBI:82624) is a trehalose mycolate (CHEBI:27083) IUPAC Name 6-O-{3-hydroxy-2-[10-(2-octadecylcyclopropyl)decyl]octacosanoyl}-α-D-glucopyranosyl 6-O-{3-hydroxy-2-[10-(2-octadecylcyclopropyl)decyl]octacosanoyl}-α-D-glucopyranoside Synonyms Sources AC1L9PSR SUBMITTER α,α'-trehalose 6,6'-dimycolate ChEBI cord factor ChEBI mycobacterial trehalose dimycolate SUBMITTER trehalose dimycolate SUBMITTER Manual Xref Database Cord_factor Wikipedia View more database links Citations Types Sources 22496642 PubMed citation Europe PMC 22921586 PubMed citation Europe PMC 23258441 PubMed citation Europe PMC 23264051 PubMed citation Europe PMC 23355839 PubMed citation Europe PMC 23630357 PubMed citation Europe PMC 23643889 PubMed citation Europe PMC 24528862 PubMed citation Europe PMC 24533147 PubMed citation Europe PMC 25028392 PubMed citation Europe PMC 25156364 PubMed citation Europe PMC 2804469 PubMed citation Europe PMC Last Modified 08 October 2014