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CHEBI:59376 - GPL-4

ChEBI IDCHEBI:59376
ChEBI NameGPL-4
Stars
DefinitionA glycopeptidolipid antigen from clinically prominent members of the Mycobacterium avium serocomplex.
Last Modified15 December 2016
SubmitterSteve
DownloadsMolfile
FormulaC85H150N4O27
Net Charge0
Average Mass1660.136
Monoisotopic Mass1659.04875
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](C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]2OC)[C@H]1O
InChIInChI=1S/C85H150N4O27/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-43-46-59(90)48-61(91)88-60(47-58-44-41-40-42-45-58)79(101)89-62(80(102)87-51(3)78(100)86-50(2)49-107-81-70(99)75(105-12)73(104-11)57(9)111-81)52(4)108-85-77(65(94)63(92)53(5)110-85)116-83-69(98)74(64(93)54(6)109-83)115-84-76(106-13)68(97)72(56(8)113-84)114-82-67(96)66(95)71(103-10)55(7)112-82/h40-42,44-45,50-57,59-60,62-77,81-85,90,92-99H,14-39,43,46-49H2,1-13H3,(H,86,100)(H,87,102)(H,88,91)(H,89,101)/t50-,51+,52+,53-,54-,55-,56-,57-,59?,60+,62+,63+,64-,65+,66-,67+,68+,69+,70+,71-,72+,73-,74+,75-,76-,77+,81?,82-,83-,84-,85?/m0/s1
InChIKeyBVHLFTVZNYUIFN-FTAXUXHKSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium avium (ncbitaxon:1764) - PubMed (2476400)
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-4 (CHEBI:59376) has role antigen (CHEBI:59132)
GPL-4 (CHEBI:59376) is a glycopeptidolipid (CHEBI:59375)
IUPAC Name 
N-[(2R)-1-{[(2R,3R)-3-{[(3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3S,4R,5S,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-{[(2R)-1-{[(2S)-1-{[(3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}propan-2-yl]amino}-1-oxopropan-2-yl]amino}-1-oxobutan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]-3-hydroxydotriacontanamide
Synonym  Source
Mycobacterium avium serocomplex glycopeptidolipidChEBI
Citations