CHEBI:62384 - DDM-838

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ChEBI Name DDM-838
ChEBI ID CHEBI:62384
Definition A carboxylic ester-lactam secreted by Mycobacterium tuberculosis which is lipid-soluble and acts as an antigen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C47H75N5O8
Net Charge 0
Average Mass 838.12710
Monoisotopic Mass 837.56156
InChI InChI=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-
InChIKey JLBSVDZUWJLOCF-GTWSWNCMSA-N
SMILES CCCCCCCCCCCCCCCCC\C=C/C(=O)NCCCCC(NC(=O)C1(C)COC(=N1)c1ccccc1O)C(=O)OC(C)CC(=O)NC1CCCCNC1=O
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
DDM ChEBI
DDM 838 ChEBI
didehydroxymycobactin 838 ChEBI
didehydroxymycobactin-838 ChEBI
dideoxymycobactin ChEBI
Manual Xref Database
LMFA00000015 LIPID MAPS
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Citations Waiting for Citations Types Sources
14739458 PubMed citation Europe PMC
15723809 PubMed citation Europe PMC
25584012 PubMed citation Europe PMC
Last Modified
03 May 2018