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CHEBI:62403 - Gly-Gln-Ala-Gly-Tyr-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr

ChEBI IDCHEBI:62403
ChEBI NameGly-Gln-Ala-Gly-Tyr-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr
Stars
DefinitionA fifteen-membered glycopeptide comprising glycyl, glutaminyl, alanyl, glycyl, tyrosyl, (5R)-5-(β-D-galactopyranosyloxy)lysyl, glycyl. α-glutamyl, glutaminyl, glycyl, prolyl, lysyl, glycyl, α-glutamyl and threonine residues coupled in sequence.
Last Modified21 June 2011
SubmitterSteve
DownloadsMolfile
FormulaC69H109N19O30
Net Charge0
Average Mass1684.734
Monoisotopic Mass1683.75877
SMILESC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC[C@H](CN)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C69H109N19O30/c1-32(79-63(110)40(15-19-47(74)93)80-48(94)26-72)59(106)75-27-51(97)83-43(24-34-8-10-35(91)11-9-34)66(113)85-38(13-12-36(25-71)117-69-58(105)57(104)56(103)45(31-89)118-69)61(108)77-29-49(95)81-41(16-20-53(99)100)64(111)84-39(14-18-46(73)92)62(109)78-30-52(98)88-23-5-7-44(88)67(114)86-37(6-3-4-22-70)60(107)76-28-50(96)82-42(17-21-54(101)102)65(112)87-55(33(2)90)68(115)116/h8-11,32-33,36-45,55-58,69,89-91,103-105H,3-7,12-31,70-72H2,1-2H3,(H2,73,92)(H2,74,93)(H,75,106)(H,76,107)(H,77,108)(H,78,109)(H,79,110)(H,80,94)(H,81,95)(H,82,96)(H,83,97)(H,84,111)(H,85,113)(H,86,114)(H,87,112)(H,99,100)(H,101,102)(H,115,116)/t32-,33+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45+,55-,56-,57-,58+,69+/m0/s1
InChIKeySJTJCVIJHCLBOR-LJOWCRJBSA-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)
Gly-Gln-Ala-Gly-Tyr-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr (CHEBI:62403) is a glycopeptide (CHEBI:24396)
IUPAC Name 
glycyl-L-glutaminyl-L-alanylglycyl-L-tyrosyl-(5R)-5-(β-D-galactopyranosyloxy)-L-lysylglycyl-L-α-glutamyl-L-glutaminylglycyl-L-prolyl-L-lysylglycyl-L-α-glutamyl-L-threonine
Synonyms  Source
GQAGYK(5-GalO)GEQGPKGETChEBI
GlyGlnAlaGlyTyrLys(5-GalO)GlyGluGlnGlyProLysGlyGluThrChEBI
Citations