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CHEBI:139524 - Ara6-DAHATLR

ChEBI IDCHEBI:139524
ChEBI NameAra6-DAHATLR
Stars
ASCII NameAra6-DAHATLR
DefinitionA glycopeptide consisting of the Ara6 epitope attached to an Asp-Ala-His-Ala-Thr-Leu-Arg-NH2 heptapeptide via a [(2-hydroxyethoxy)imino]acetyl linker.
Last Modified25 January 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC66H108N14O37
Net Charge0
Average Mass1689.651
Monoisotopic Mass1688.69998
SMILES[H]C(=NOCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O
InChIInChI=1S/C66H108N14O37/c1-23(2)11-29(58(103)77-28(53(67)98)7-6-8-71-66(68)69)79-59(104)40(26(5)85)80-55(100)25(4)75-56(101)30(12-27-14-70-22-72-27)78-54(99)24(3)74-57(102)31(13-39(87)88)76-38(86)15-73-108-10-9-105-60-46(94)43(91)36(113-60)20-106-61-49(97)50(115-65-52(45(93)35(19-84)112-65)117-63-48(96)42(90)33(17-82)110-63)37(114-61)21-107-64-51(44(92)34(18-83)111-64)116-62-47(95)41(89)32(16-81)109-62/h14-15,22-26,28-37,40-52,60-65,81-85,89-97H,6-13,16-21H2,1-5H3,(H2,67,98)(H,70,72)(H,74,102)(H,75,101)(H,76,86)(H,77,103)(H,78,99)(H,79,104)(H,80,100)(H,87,88)(H4,68,69,71)/t24-,25-,26+,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50+,51-,52-,60-,61-,62-,63-,64-,65+/m0/s1
InChIKeyITMJIMDHBMZNDG-BLEIWWAESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ara6-DAHATLR (CHEBI:139524) is a glycopeptide (CHEBI:24396)
IUPAC Name 
N-{[(2-{[β-D-arabinofuranosyl-(1→2)-α-D-arabinofuranosyl-(1→3)-[β-D-arabinofuranosyl-(1→2)-α-D-arabinofuranosyl-(1→5)]-α-D-arabinofuranosyl-(1→5)-α-D-arabinofuranosyl]oxy}ethoxy)imino]acetyl}-L-aspartyl-L-alanyl-L-histidyl-L-alanyl-L-threonyl-L-leuyl-L-arginamide
Synonyms  Source
N-{[(2-{[β-D-arabinofuranosyl-(1,2)-α-D-arabinofuranosyl-(1,3)-[β-D-arabinofuranosyl-(1,2)-α-D-arabinofuranosyl-(1,5)]-α-D-arabinofuranosyl-(1,5)-α-D-arabinofuranosyl]oxy}ethoxy)imino]acetyl}-L-aspartyl-L-alanyl-L-histidyl-L-alanyl-L-threonyl-L-leucyl-L-arginamideChEBI
N-{[(2-{[β-D-Araf-(1→2)-α-D-Araf-(1→3)-[β-D-Araf-(1→2)-α-D-Araf-(1→5)]-α-D-Araf-(1→5)-α-D-Araf]oxy}ethoxy)imino]acetyl}-Asp-Ala-His-Ala-Thr-Leu-Arg-NH2ChEBI
N-{[(2-{[β-D-Araf-(1→2)-α-D-Araf-(1→3)-[β-D-Araf-(1→2)-α-D-Araf-(1→5)]-α-D-Araf-(1→5)-α-D-Araf]oxy}ethoxy)imino]acetyl}-L-aspartyl-L-alanyl-L-histidyl-L-alanyl-L-threonyl-L-leuyl-L-arginamideChEBI
Citations