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CHEBI:62390 - Gly-Hle-Ala-Gly-Cha-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr

ChEBI IDCHEBI:62390
ChEBI NameGly-Hle-Ala-Gly-Cha-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr
Stars
DefinitionA fifteen-membered glycopeptide comprising glycyl, homoleucyl, 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
FormulaC71H120N18O28
Net Charge0
Average Mass1673.839
Monoisotopic Mass1672.85195
SMILESCC(C)CC[C@H](NC(=O)CN)C(=O)N[C@@H](C)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/C71H120N18O28/c1-35(2)15-17-43(81-50(93)29-74)65(109)80-36(3)61(105)76-30-53(96)84-46(27-38-11-6-5-7-12-38)68(112)86-41(18-16-39(28-73)116-71-60(104)59(103)58(102)48(34-90)117-71)63(107)78-32-51(94)82-44(20-23-55(98)99)66(110)85-42(19-22-49(75)92)64(108)79-33-54(97)89-26-10-14-47(89)69(113)87-40(13-8-9-25-72)62(106)77-31-52(95)83-45(21-24-56(100)101)67(111)88-57(37(4)91)70(114)115/h35-48,57-60,71,90-91,102-104H,5-34,72-74H2,1-4H3,(H2,75,92)(H,76,105)(H,77,106)(H,78,107)(H,79,108)(H,80,109)(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,85,110)(H,86,112)(H,87,113)(H,88,111)(H,98,99)(H,100,101)(H,114,115)/t36-,37+,39+,40-,41-,42-,43-,44-,45-,46-,47-,48+,57-,58-,59-,60+,71+/m0/s1
InChIKeyXPEWJJWFNFAUOK-HRQXZKKPSA-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-Hle-Ala-Gly-Cha-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr (CHEBI:62390) is a glycopeptide (CHEBI:24396)
IUPAC Name 
glycyl-5-methyl-L-norleucyl-L-alanylglycyl-3-cyclohexyl-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
G(Hle)AG(Cha)K(5-GalO)GEQGPKGETChEBI
Gly(Hle)AlaGly(Cha)Lys(5-GalO)GlyGluGlnGlyProLysGlyGluThrChEBI
Citations