EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:59620 - GPL-1

Default Structure
ChEBI IDCHEBI:59620
ChEBI NameGPL-1
Stars
DefinitionA glycopeptidolipid antigen from clinically prominent members of the Mycobacterium avium serocomplex.
Last Modified22 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC71H126N4O19
Net Charge0
Average Mass1339.798
Monoisotopic Mass1338.90163
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]1O
InChIInChI=1S/C71H126N4O19/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-39-42-53(76)44-55(77)74-54(43-52-40-37-36-38-41-52)67(85)75-56(48(4)90-71-65(60(81)58(79)50(6)92-71)94-70-61(82)59(80)57(78)49(5)91-70)68(86)73-47(3)66(84)72-46(2)45-89-69-62(83)64(88-9)63(87-8)51(7)93-69/h36-38,40-41,46-51,53-54,56-65,69-71,76,78-83H,10-35,39,42-45H2,1-9H3,(H,72,84)(H,73,86)(H,74,77)(H,75,85)/t46-,47+,48+,49-,50-,51-,53?,54+,56+,57-,58+,59+,60+,61+,62+,63-,64-,65+,69?,70-,71?/m0/s1
InChIKeyPZOHPVWRSNXCRP-QRCCJXOFSA-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-1 (CHEBI:59620) has role antigen (CHEBI:59132)
GPL-1 (CHEBI:59620) is a glycopeptidolipid (CHEBI:59375)
IUPAC Name 
N-[(2R)-1-{[(2R,3R)-3-{[6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-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-{[6-deoxy-2-O-(6-deoxy-α-L-mannosyl)-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