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Concept information

ترکیب اکسیژن ارگانیک > کربوکسامید > پپتید > گلیکوپپتید > Gly Chg Ala Gly Phe(3 Me) Lys(5 GalO) Gly Glu Gln Gly Pro Lys Gly Glu Thr

Preferred term

Gly Chg Ala Gly Phe(3 Me) 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

  • C73H116N18O28

inchi

  • InChI=1S/C73H116N18O28/c1-36-11-9-12-39(27-36)28-47(85-54(98)31-78-63(107)37(2)82-71(115)59(89-51(95)30-76)40-13-5-4-6-14-40)69(113)87-43(18-17-41(29-75)118-73-62(106)61(105)60(104)49(35-92)119-73)65(109)80-33-52(96)83-45(20-23-56(100)101)67(111)86-44(19-22-50(77)94)66(110)81-34-55(99)91-26-10-16-48(91)70(114)88-42(15-7-8-25-74)64(108)79-32-53(97)84-46(21-24-57(102)103)68(112)90-58(38(3)93)72(116)117/h9,11-12,27,37-38,40-49,58-62,73,92-93,104-106H,4-8,10,13-26,28-35,74-76H2,1-3H3,(H2,77,94)(H,78,107)(H,79,108)(H,80,109)(H,81,110)(H,82,115)(H,83,96)(H,84,97)(H,85,98)(H,86,111)(H,87,113)(H,88,114)(H,89,95)(H,90,112)(H,100,101)(H,102,103)(H,116,117)/t37-,38+,41+,42-,43-,44-,45-,46-,47-,48-,49+,58-,59-,60-,61-,62+,73+/m0/s1

inchikey

  • TUKQELNMEILBML-AXGNATMESA-N

mass

  • 1693.80590

monoisotopicmass

  • 1692.82065

smiles

  • C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CC[C@H](CN)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](Cc1cccc(C)c1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CN)C1CCCCC1)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • glycyl-(2S)-amino(cyclohexyl)acetyl-L-alanylglycyl-3-methyl-L-phenylalanyl-(5R)-5-(beta-D-galactopyranosyloxy)-L-lysylglycyl-L-alpha-glutamyl-L-glutaminylglycyl-L-prolyl-L-lysylglycyl-L-alpha-glutamyl-L-threonine

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62395

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