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CHEBI:62384 - DDM-838

ChEBI IDCHEBI:62384
ChEBI NameDDM-838
Stars
DefinitionA carboxylic ester-lactam secreted by Mycobacterium tuberculosis which is lipid-soluble and acts as an antigen.
Last Modified3 May 2018
SubmitterSteve
DownloadsMolfile
FormulaC47H75N5O8
Net Charge0
Average Mass838.144
Monoisotopic Mass837.56156
SMILESCCCCCCCCCCCCCCCCC/C=C\C(=O)NCCCCC(NC(=O)C1(C)COC(c2ccccc2O)=N1)C(=O)OC(C)CC(=O)NC1CCCCNC1=O
InChIInChI=1S/C47H75N5O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-41(54)48-32-25-24-29-39(45(57)60-36(2)34-42(55)50-38-28-23-26-33-49-43(38)56)51-46(58)47(3)35-59-44(52-47)37-27-21-22-30-40(37)53/h20-22,27,30-31,36,38-39,53H,4-19,23-26,28-29,32-35H2,1-3H3,(H,48,54)(H,49,56)(H,50,55)(H,51,58)/b31-20-
InChIKeyJLBSVDZUWJLOCF-GTWSWNCMSA-N
Roles Classification
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
DDM-838 (CHEBI:62384) has role antigen (CHEBI:59132)
DDM-838 (CHEBI:62384) is a 1,3-oxazoles (CHEBI:46812)
DDM-838 (CHEBI:62384) is a carboxylic ester (CHEBI:33308)
DDM-838 (CHEBI:62384) is a lactam (CHEBI:24995)
DDM-838 (CHEBI:62384) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
4-oxo-4-[(2-oxoazepan-3-yl)amino]butan-2-yl N2-{[2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N6-[(2Z)-icos-2-enoyl]lysinate
Synonyms  Source
didehydroxymycobactin-838ChEBI
DDM 838ChEBI
didehydroxymycobactin 838ChEBI
dideoxymycobactinChEBI
DDMChEBI
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Citations