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CHEBI:62393 - Gly-Cpa-Ala-Gly-Cha-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr

ChEBI IDCHEBI:62393
ChEBI NameGly-Cpa-Ala-Gly-Cha-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr
Stars
DefinitionA fifteen-membered glycopeptide comprising glycyl, cyclopropylalanyl, alanyl, glycyl, cyclohexylalanyl, (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
FormulaC70H116N18O28
Net Charge0
Average Mass1657.796
Monoisotopic Mass1656.82065
SMILESC[C@H](NC(=O)[C@H](CC1CC1)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC1CCCCC1)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/C70H116N18O28/c1-34(79-66(110)44(26-37-13-14-37)82-49(92)28-73)60(104)75-29-52(95)83-45(25-36-9-4-3-5-10-36)67(111)85-40(16-15-38(27-72)115-70-59(103)58(102)57(101)47(33-89)116-70)62(106)77-31-50(93)80-42(18-21-54(97)98)64(108)84-41(17-20-48(74)91)63(107)78-32-53(96)88-24-8-12-46(88)68(112)86-39(11-6-7-23-71)61(105)76-30-51(94)81-43(19-22-55(99)100)65(109)87-56(35(2)90)69(113)114/h34-47,56-59,70,89-90,101-103H,3-33,71-73H2,1-2H3,(H2,74,91)(H,75,104)(H,76,105)(H,77,106)(H,78,107)(H,79,110)(H,80,93)(H,81,94)(H,82,92)(H,83,95)(H,84,108)(H,85,111)(H,86,112)(H,87,109)(H,97,98)(H,99,100)(H,113,114)/t34-,35+,38+,39-,40-,41-,42-,43-,44-,45-,46-,47+,56-,57-,58-,59+,70+/m0/s1
InChIKeyPSQCJPODNHKMKK-SOGKGEDRSA-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-Cpa-Ala-Gly-Cha-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr (CHEBI:62393) is a glycopeptide (CHEBI:24396)
IUPAC Name 
glycyl-3-cyclopropyl-L-alanyl-L-alanylglycyl-3-cyclopropyl-L-alanyl-(5R)-5-(β-D-galactopyranosyloxy)-L-lysyl-glycyl-L-α-glutamyl-L-glutaminylglycyl-L-prolyl-L-lysylglycyl-L-α-glutamyl-L-threonine
Synonyms  Source
GA(Cy)AG(Cha)K(5-GalO)GEQGPKGETChEBI
Gly(Cpa)AlaGly(Cha)Lys(5-GalO)GlyGluGlnGlyProLysGlyGluThrChEBI
Citations