Concept information
Preferred term
gly-ile-ala-gly-ala(thiazol-4-yl)-lys(5-galo)-gly-glu-gln-gly-pro-lys-gly-glu-thr
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C67H109N19O28S
inchi
- InChI=1S/C67H109N19O28S/c1-5-31(2)52(84-45(90)23-70)65(110)77-32(3)57(102)72-24-48(93)80-41(21-34-29-115-30-76-34)63(108)82-37(12-11-35(22-69)113-67-56(101)55(100)54(99)43(28-87)114-67)59(104)74-26-46(91)78-39(14-17-50(95)96)61(106)81-38(13-16-44(71)89)60(105)75-27-49(94)86-20-8-10-42(86)64(109)83-36(9-6-7-19-68)58(103)73-25-47(92)79-40(15-18-51(97)98)62(107)85-53(33(4)88)66(111)112/h29-33,35-43,52-56,67,87-88,99-101H,5-28,68-70H2,1-4H3,(H2,71,89)(H,72,102)(H,73,103)(H,74,104)(H,75,105)(H,77,110)(H,78,91)(H,79,92)(H,80,93)(H,81,106)(H,82,108)(H,83,109)(H,84,90)(H,85,107)(H,95,96)(H,97,98)(H,111,112)/t31-,32-,33+,35+,36-,37-,38-,39-,40-,41-,42-,43+,52-,53-,54-,55-,56+,67+/m0/s1
inchikey
- WRSBQQRQXZCQFH-CWLNCWHVSA-N
mass
- 1660.75800
monoisotopicmass
- 1659.74102
smiles
- CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1cscn1)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@@H](C)O)C(O)=O
subset
- 3_STAR
synonym EXACT
- glycyl-L-isoleucyl-L-alanylglycyl-3-(1,3-thiazol-4-yl)-L-alanyl-(5R)-5-(beta-D-galactopyranosyloxy)-L-lysyl-glycyl-L-alpha-glutamyl-L-glutaminylglycyl-L-prolyl-L-lysylglycyl-L-alpha-glutamyl-L-threonine
synonym RELATED
- GIAGA(thiazol-4-yl)K(5-GalO)GEQGPKGET
- GlyIleAlaGlyAla(thiazol-4-yl)Lys(5-GalO)GlyGluGlnGlyProLysGlyGluThr
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:62388
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