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CHEBI:59646 - GPL-21

ChEBI IDCHEBI:59646
ChEBI NameGPL-21
Stars
DefinitionA glycopeptidolipid antigen from clinically prominent members of the Mycobacterium avium serocomplex
Last Modified21 April 2017
SubmitterSteve
DownloadsMolfile
FormulaC81H140N4O26.H2O
Net Charge0
Average Mass1604.028
Monoisotopic Mass1602.98615
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)COC1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1O)[C@@H](C)OC1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O[C@@H]2O[C@@H]3CO[C@](C)(C(=O)O)O[C@H]3[C@H](OC)[C@H]2O)[C@H]1O.O
InChIInChI=1S/C81H140N4O26.H2O/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-41-44-56(86)46-59(87)84-57(45-55-42-39-38-40-43-55)74(95)85-60(75(96)83-50(3)73(94)82-49(2)47-102-76-65(92)70(100-10)67(99-9)54(7)107-76)51(4)104-79-72(63(90)61(88)52(5)106-79)110-77-64(91)69(62(89)53(6)105-77)109-78-66(93)71(101-11)68-58(108-78)48-103-81(8,111-68)80(97)98;/h38-40,42-43,49-54,56-58,60-72,76-79,86,88-93H,12-37,41,44-48H2,1-11H3,(H,82,94)(H,83,96)(H,84,87)(H,85,95)(H,97,98);1H2/t49-,50+,51+,52-,53-,54-,56?,57+,58+,60+,61+,62-,63+,64+,65+,66+,67-,68+,69+,70-,71+,72+,76?,77-,78-,79?,81-;/m0./s1
InChIKeyORFKHCALHZTTTL-LRUVWLFWSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
GPL-21 (CHEBI:59646) has role antigen (CHEBI:59132)
GPL-21 (CHEBI:59646) is a glycopeptidolipid (CHEBI:59375)
IUPAC Name 
N-[(2R)-1-{[(2R,3R)-3-({4,6-O-[(1S)-1-carboxyethylidene]-3-O-methyl-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-L-talopyranosyl}oxy)-1-{[(2R)-1-({(2S)-1-[(6-deoxy-3,4-di-O-methyl-L-mannopyranosyl)oxy]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-1-oxobutan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]-3-hydroxydotriacontanamide
Synonyms  Source
Mycobacterium avium serocomplex glycopeptidolipidChEBI
N-[(2R)-1-{[(2R,3R)-3-({4,6-O-[(1S)-1-carboxyethylidene]-3-O-methyl-β-D-glucosyl-(1→3)-6-deoxy-α-L-mannosyl-(1→2)-6-deoxy-L-talosyl}oxy)-1-{[(2R)-1-({(2S)-1-[(6-deoxy-3,4-di-O-methyl-L-mannosyl)oxy]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-1-oxobutan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]-3-hydroxydotriacontanamideChEBI
Citations