EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139516 - Ara6-ANSSFAP

ChEBI IDCHEBI:139516
ChEBI NameAra6-ANSSFAP
Stars
ASCII NameAra6-ANSSFAP
DefinitionA glycopeptide consisting of the Ara6 epitope attached to an Ala-Asn-Ser-Ser-Phe-Ala-Pro-NH2 heptapeptide via a [(2-hydroxyethoxy)imino]acetyl linker.
Last Modified25 January 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC64H98N10O37
Net Charge0
Average Mass1599.521
Monoisotopic Mass1598.60943
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)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C64H98N10O37/c1-24(53(93)70-28(14-38(65)81)55(95)72-30(17-76)57(97)73-29(16-75)56(96)71-27(13-26-7-4-3-5-8-26)54(94)69-25(2)58(98)74-10-6-9-31(74)52(66)92)68-39(82)15-67-102-12-11-99-59-45(88)42(85)36(107-59)22-100-60-48(91)49(109-64-51(44(87)35(21-80)106-64)111-62-47(90)41(84)33(19-78)104-62)37(108-60)23-101-63-50(43(86)34(20-79)105-63)110-61-46(89)40(83)32(18-77)103-61/h3-5,7-8,15,24-25,27-37,40-51,59-64,75-80,83-91H,6,9-14,16-23H2,1-2H3,(H2,65,81)(H2,66,92)(H,68,82)(H,69,94)(H,70,93)(H,71,96)(H,72,95)(H,73,97)/t24-,25-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49+,50-,51-,59-,60-,61-,62-,63-,64+/m0/s1
InChIKeyUITDXRUYLPCWMC-HWATZDTFSA-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-ANSSFAP (CHEBI:139516) 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-ANSSFAP (CHEBI:139516) 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-alanyl-L-asparaginyl-L-seryl-L-seryl-L-phenylalanyl-L-alanyl-L-prolinamide
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-alanyl-L-asparaginyl-L-seryl-L-seryl-L-phenylalanyl-L-alanyl-L-prolinamideChEBI
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-alanyl-L-asparaginyl-L-seryl-L-seryl-L-phenylalanyl-L-alanyl-L-prolinamideChEBI
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}-Ala-Asn-Ser-Ser-Phe-Ala-Pro-NH2ChEBI
Citations