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CHEBI:71405 - β-D-GlcNAc-(1→4)-MDP-Lys(L18)

ChEBI IDCHEBI:71405
ChEBI Nameβ-D-GlcNAc-(1→4)-MDP-Lys(L18)
Stars
ASCII Namebeta-D-GlcNAc-(1->4)-MDP-Lys(L18)
DefinitionA glycopeptidolipid consisting of L-lysine, to the N-2 of which is attached an N-acetyl-β-D-glucosaminyl-(1→4)-N-acetylmuramoyl moiety connected to the amino terminus of the dipeptide L-alanyl-D-isoglutamine, and to the N-6 of which is attached a stearoyl group.
Last Modified26 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC51H91N7O18
Net Charge0
Average Mass1090.320
Monoisotopic Mass1089.64206
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(N)=O)C(=O)O
InChIInChI=1S/C51H91N7O18/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-38(63)53-27-22-21-23-35(49(70)71)57-39(64)26-25-34(46(52)67)58-47(68)30(2)54-48(69)31(3)73-45-41(56-33(5)62)50(72)74-37(29-60)44(45)76-51-40(55-32(4)61)43(66)42(65)36(28-59)75-51/h30-31,34-37,40-45,50-51,59-60,65-66,72H,6-29H2,1-5H3,(H2,52,67)(H,53,63)(H,54,69)(H,55,61)(H,56,62)(H,57,64)(H,58,68)(H,70,71)/t30-,31+,34+,35+,36+,37+,40+,41+,42+,43+,44+,45+,50+,51-/m0/s1
InChIKeyJGKZASZULZLRJU-RUTHMLLDSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcNAc-(1→4)-MDP-Lys(L18) (CHEBI:71405) has role epitope (CHEBI:53000)
β-D-GlcNAc-(1→4)-MDP-Lys(L18) (CHEBI:71405) is a N-acetyl-β-D-glycosaminyl glycopeptide (CHEBI:17149)
β-D-GlcNAc-(1→4)-MDP-Lys(L18) (CHEBI:71405) is a glucosamine oligosaccharide (CHEBI:22485)
β-D-GlcNAc-(1→4)-MDP-Lys(L18) (CHEBI:71405) is a glycopeptidolipid (CHEBI:59375)
Synonyms  Source
N2-{[4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-N-acetylmuramyl]-L-alanyl-D-isoglutaminyl}-N6-stearoyl-L-lysineChEBI
GlcNAcβ1-4MDPLysChEBI
N2-{[4-O-(N-acetyl-β-D-glucosaminyl)-N-acetylmuramyl]-L-alanyl-D-isoglutaminyl}-N6-stearoyl-L-lysineChEBI
GlcNAcb1-4-MDPLysChEBI
(2R)-2-{[(4R)-4-{[(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoyl]amino}-6-(octadecanoylamino)hexanoic acidIUPAC
Citations