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CHEBI:62400 - Gly-Ala(thiazol-4-yl)-Ala-Gly-Ala(4-Py)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr

ChEBI IDCHEBI:62400
ChEBI NameGly-Ala(thiazol-4-yl)-Ala-Gly-Ala(4-Py)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr
Stars
DefinitionA fifteen-membered glycopeptide comprising glycyl, 3-(1,3-thiazol-4-yl)alanyl, alanyl, glycyl, 4-pyridylalanyl, (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
FormulaC69H106N20O28S
Net Charge0
Average Mass1695.786
Monoisotopic Mass1694.72061
SMILESC[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CN)C(=O)NCC(=O)N[C@@H](Cc1ccncc1)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/C69H106N20O28S/c1-33(80-65(111)44(83-48(93)25-72)23-36-31-118-32-79-36)59(105)75-26-51(96)84-43(22-35-16-19-74-20-17-35)66(112)86-39(9-8-37(24-71)116-69-58(104)57(103)56(102)46(30-90)117-69)61(107)77-28-49(94)81-41(11-14-53(98)99)63(109)85-40(10-13-47(73)92)62(108)78-29-52(97)89-21-5-7-45(89)67(113)87-38(6-3-4-18-70)60(106)76-27-50(95)82-42(12-15-54(100)101)64(110)88-55(34(2)91)68(114)115/h16-17,19-20,31-34,37-46,55-58,69,90-91,102-104H,3-15,18,21-30,70-72H2,1-2H3,(H2,73,92)(H,75,105)(H,76,106)(H,77,107)(H,78,108)(H,80,111)(H,81,94)(H,82,95)(H,83,93)(H,84,96)(H,85,109)(H,86,112)(H,87,113)(H,88,110)(H,98,99)(H,100,101)(H,114,115)/t33-,34+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+,55-,56-,57-,58+,69+/m0/s1
InChIKeyCEEYXAFTVNCEPE-ADOCRPHWSA-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-Ala(thiazol-4-yl)-Ala-Gly-Ala(4-Py)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr (CHEBI:62400) is a glycopeptide (CHEBI:24396)
IUPAC Name 
glycyl-3-(1,3-thiazol-4-yl)-L-alanyl-L-alanylglycyl-3-pyridin-4-yl-L-alanyl-(5R)-5-(β-D-galactopyranosyloxy)-L-lysylglycyl-L-α-glutamyl-L-glutaminylglycyl-L-prolyl-L-lysylglycyl-L-α-glutamyl-L-threonine
Synonyms  Source
GlyAla(thiazol-4-yl)AlaGlyAla(4-Py)Lys(5-GalO)GlyGluGlnGlyProLysGlyGluThrChEBI
GA(thiazol-4-yl)AGA(4-Py)K(5-GalO)GEQGPKGETChEBI
Citations