EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:62397 - Gly-Chg-Ala-Gly-Ala(4-Py)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr

ChEBI IDCHEBI:62397
ChEBI NameGly-Chg-Ala-Gly-Ala(4-Py)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr
Stars
DefinitionA fifteen-membered glycopeptide comprising glycyl, cyclohexylglycyl, 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
FormulaC71H113N19O28
Net Charge0
Average Mass1680.790
Monoisotopic Mass1679.80024
SMILESC[C@H](NC(=O)[C@@H](NC(=O)CN)C1CCCCC1)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/C71H113N19O28/c1-35(81-69(114)57(88-49(94)29-74)38-9-4-3-5-10-38)61(106)77-30-52(97)84-45(27-37-21-24-76-25-22-37)67(112)86-41(14-13-39(28-73)117-71-60(105)59(104)58(103)47(34-91)118-71)63(108)79-32-50(95)82-43(16-19-54(99)100)65(110)85-42(15-18-48(75)93)64(109)80-33-53(98)90-26-8-12-46(90)68(113)87-40(11-6-7-23-72)62(107)78-31-51(96)83-44(17-20-55(101)102)66(111)89-56(36(2)92)70(115)116/h21-22,24-25,35-36,38-47,56-60,71,91-92,103-105H,3-20,23,26-34,72-74H2,1-2H3,(H2,75,93)(H,77,106)(H,78,107)(H,79,108)(H,80,109)(H,81,114)(H,82,95)(H,83,96)(H,84,97)(H,85,110)(H,86,112)(H,87,113)(H,88,94)(H,89,111)(H,99,100)(H,101,102)(H,115,116)/t35-,36+,39+,40-,41-,42-,43-,44-,45-,46-,47+,56-,57-,58-,59-,60+,71+/m0/s1
InChIKeyADTQLVPCUTXMDA-OPYRYJBRSA-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-Chg-Ala-Gly-Ala(4-Py)-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr (CHEBI:62397) is a glycopeptide (CHEBI:24396)
IUPAC Name 
glycyl-(2S)-amino(cyclohexyl)acetyl-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
G(Chg)AGA(4-Py)K(5-GalO)GEQGPKGETChEBI
Gly(Chg)AlaGlyAla(4-Py)Lys(5-GalO)GlyGluGlnGlyProLysGlyGluThrChEBI
Citations