CHEBI:59378 - GPL-9I

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ChEBI Name GPL-9I
ChEBI ID CHEBI:59378
Definition A glycopeptidolipid antigen from clinically prominent members of the Mycobacterium avium serocomplex.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C95H164N4O34
Net Charge 0
Average Mass 1906.32510
Monoisotopic Mass 1905.12270
InChI InChI=1S/C95H164N4O34/c1-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-46-49-63(101)51-65(102)98-64(50-62-47-44-43-45-48-62)87(111)99-66(88(112)97-54(3)86(110)96-53(2)52-121-90-73(109)78(116-12)74(115-11)58(7)125-90)55(4)122-93-80(69(105)67(103)56(5)124-93)132-92-72(108)77(68(104)57(6)123-92)130-94-85(120-16)82(118-14)76(60(9)127-94)129-91-71(107)70(106)79(83(133-91)89(113)114)131-95-84(119-15)81(117-13)75(59(8)126-95)128-61(10)100/h43-45,47-48,53-60,63-64,66-85,90-95,101,103-109H,17-42,46,49-52H2,1-16H3,(H,96,110)(H,97,112)(H,98,102)(H,99,111)(H,113,114)/t53-,54+,55+,56-,57-,58-,59-,60-,63?,64+,66+,67+,68-,69+,70+,71+,72+,73+,74-,75+,76+,77+,78-,79-,80+,81+,82+,83-,84-,85-,90?,91+,92-,93?,94-,95-/m0/s1
InChIKey IJTNVWGLWCEVOF-NYODSTKASA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]([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@@H](O[C@@H]4O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC)[C@@H]4OC)[C@H](O)[C@H]3O)C(O)=O)[C@@H](OC)[C@@H]2OC)[C@H]1O)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
Metabolite of Species Details
Mycobacterium avium (NCBI:txid1764) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 GPL-9I (CHEBI:59378) has role antigen (CHEBI:59132)
GPL-9I (CHEBI:59378) is a glycopeptidolipid (CHEBI:59375)
IUPAC Name
(2S,3S,4R,5R,6R)-3-{[(2S,3S,4R,5R,6S)-5-(acetyloxy)-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-6-{[(2S,3R,4R,5S,6S)-6-{[(2S,3R,4R,5S,6S)-2-{[(3R,4R,5S,6S)-4,5-dihydroxy-2-{[(2R,3R)-4-{[(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}-3-({(2R)-2-[(3-hydroxydotriacontanoyl)amino]-3-phenylpropanoyl}amino)-4-oxobutan-2-yl]oxy}-6-methyloxan-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl]oxy}-4,5-dimethoxy-2-methyloxan-3-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid
Synonym Source
Mycobacterium avium serocomplex glycopeptidolipid ChEBI
Citation Waiting for Citations Type Source
2476400 PubMed citation Europe PMC
Last Modified
15 December 2016