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CHEBI:139525 - Ara6-TTYVVNP

ChEBI IDCHEBI:139525
ChEBI NameAra6-TTYVVNP
Stars
ASCII NameAra6-TTYVVNP
DefinitionA glycopeptide consisting of the Ara6 epitope attached to a Thr-Thr-Tyr-Val-Val-Asn-Pro-NH2 heptapeptide via a [(2-hydroxyethoxy)imino]acetyl linker.
Last Modified25 January 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC70H110N10O38
Net Charge0
Average Mass1699.682
Monoisotopic Mass1698.69825
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](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O
InChIInChI=1S/C70H110N10O38/c1-25(2)42(60(101)75-32(17-40(71)88)64(105)80-13-7-8-33(80)58(72)99)78-61(102)43(26(3)4)77-59(100)31(16-29-9-11-30(87)12-10-29)74-62(103)45(28(6)86)79-63(104)44(27(5)85)76-41(89)18-73-109-15-14-106-65-51(95)48(92)38(114-65)23-107-66-54(98)55(116-70-57(50(94)37(22-84)113-70)118-68-53(97)47(91)35(20-82)111-68)39(115-66)24-108-69-56(49(93)36(21-83)112-69)117-67-52(96)46(90)34(19-81)110-67/h9-12,18,25-28,31-39,42-57,65-70,81-87,90-98H,7-8,13-17,19-24H2,1-6H3,(H2,71,88)(H2,72,99)(H,74,103)(H,75,101)(H,76,89)(H,77,100)(H,78,102)(H,79,104)/t27-,28-,31+,32+,33+,34-,35-,36-,37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49-,50-,51+,52+,53+,54+,55-,56+,57+,65+,66+,67+,68+,69+,70-/m1/s1
InChIKeyALZMDZXBJJZHNZ-UNJQIUTRSA-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-TTYVVNP (CHEBI:139525) has part β-D-Araf-(1→2)-α-D-Araf-(1→5)-[β-D-Araf-(1→2)-α-D-Araf-(1→3)]-α-D-Araf-(1→5)-α-D-Araf-yl group (CHEBI:59592)
Ara6-TTYVVNP (CHEBI:139525) 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-threonyl-L-threonyl-L-tyrosyl-L-valyl-L-valyl-L-asparaginyl-L-prolinamide
Synonyms  Source
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}-Thr-Thr-Tyr-Val-Val-Asn-Pro-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-threonyl-L-threonyl-L-tyrosyl-L-valyl-L-valyl-L-asparaginyl-L-prolinamideChEBI
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-threonyl-L-threonyl-L-tyrosyl-L-valyl-L-valyl-L-asparaginyl-L-prolinamideChEBI
Citations