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CHEBI:62396 - Gly-Chg-Ala-Gly-Tyr-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr

ChEBI IDCHEBI:62396
ChEBI NameGly-Chg-Ala-Gly-Tyr-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr
Stars
DefinitionA fifteen-membered glycopeptide comprising glycyl, cyclohexylglycyl, alanyl, glycyl, tyrosyl, (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
FormulaC72H114N18O29
Net Charge0
Average Mass1695.801
Monoisotopic Mass1694.79991
SMILESC[C@H](NC(=O)[C@@H](NC(=O)CN)C1CCCCC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)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/C72H114N18O29/c1-35(81-70(115)58(88-50(95)29-75)38-9-4-3-5-10-38)62(107)77-30-53(98)84-46(27-37-13-15-39(93)16-14-37)68(113)86-42(18-17-40(28-74)118-72-61(106)60(105)59(104)48(34-91)119-72)64(109)79-32-51(96)82-44(20-23-55(100)101)66(111)85-43(19-22-49(76)94)65(110)80-33-54(99)90-26-8-12-47(90)69(114)87-41(11-6-7-25-73)63(108)78-31-52(97)83-45(21-24-56(102)103)67(112)89-57(36(2)92)71(116)117/h13-16,35-36,38,40-48,57-61,72,91-93,104-106H,3-12,17-34,73-75H2,1-2H3,(H2,76,94)(H,77,107)(H,78,108)(H,79,109)(H,80,110)(H,81,115)(H,82,96)(H,83,97)(H,84,98)(H,85,111)(H,86,113)(H,87,114)(H,88,95)(H,89,112)(H,100,101)(H,102,103)(H,116,117)/t35-,36+,40+,41-,42-,43-,44-,45-,46-,47-,48+,57-,58-,59-,60-,61+,72+/m0/s1
InChIKeyJIMNPIWZIZPZHN-NAVAQTHWSA-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-Tyr-Lys(5-GalO)-Gly-Glu-Gln-Gly-Pro-Lys-Gly-Glu-Thr (CHEBI:62396) is a glycopeptide (CHEBI:24396)
IUPAC Name 
glycyl-(2S)-amino(cyclohexyl)acetyl-L-alanylglycyl-L-tyrosyl-(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)AGYK(5-GalO)GEQGPKGETChEBI
Gly(Chg)AlaGlyTyrLys(5-GalO)GlyGluGlnGlyProLysGlyGluThrChEBI
Citations