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CHEBI:62386 - Gly-Ile-Ala-Gly-Phe(4-F)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr

ChEBI IDCHEBI:62386
ChEBI NameGly-Ile-Ala-Gly-Phe(4-F)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr
Stars
DefinitionA fifteen-membered glycopeptide comprising glycyl, isoleucyl, alanyl, glycyl, 4-fluorophenylalanyl, (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
FormulaC70H111FN18O28
Net Charge0
Average Mass1671.754
Monoisotopic Mass1670.77992
SMILESCC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)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/C70H111FN18O28/c1-5-33(2)55(87-48(93)27-74)68(113)80-34(3)60(105)76-28-51(96)83-44(25-36-11-13-37(71)14-12-36)66(111)85-40(16-15-38(26-73)116-70-59(104)58(103)57(102)46(32-90)117-70)62(107)78-30-49(94)81-42(18-21-53(98)99)64(109)84-41(17-20-47(75)92)63(108)79-31-52(97)89-24-8-10-45(89)67(112)86-39(9-6-7-23-72)61(106)77-29-50(95)82-43(19-22-54(100)101)65(110)88-56(35(4)91)69(114)115/h11-14,33-35,38-46,55-59,70,90-91,102-104H,5-10,15-32,72-74H2,1-4H3,(H2,75,92)(H,76,105)(H,77,106)(H,78,107)(H,79,108)(H,80,113)(H,81,94)(H,82,95)(H,83,96)(H,84,109)(H,85,111)(H,86,112)(H,87,93)(H,88,110)(H,98,99)(H,100,101)(H,114,115)/t33-,34-,35+,38+,39-,40-,41-,42-,43-,44-,45-,46+,55-,56-,57-,58-,59+,70+/m0/s1
InChIKeyBGSJYJGNIFYLPC-YLJSEPPNSA-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-Ile-Ala-Gly-Phe(4-F)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr (CHEBI:62386) is a glycopeptide (CHEBI:24396)
IUPAC Name 
glycyl-L-isoleucyl-L-alanylglycyl-4-fluoro-L-phenylalanyl-(5R)-5-(β-D-galactopyranosyloxy)-L-lysyl-glycyl-L-α-glutamyl-L-glutaminylglycyl-L-prolyl-L-lysylglycyl-L-α-glutamyl-L-threonine
Synonyms  Source
GIAGF(4-F)K(5-GalO)GEQGPKGETChEBI
GlyIleAlaGlyPhe(4-F)Lys(5-GalO)GlyGluGlnGlyProLysGlyGluThrChEBI
Citations