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Concept information

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

Preferred term

Gly Cpa 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

  • C71H112N18O28

inchi

  • InChI=1S/C71H112N18O28/c1-34-8-6-9-38(24-34)26-46(84-53(96)29-76-61(105)35(2)80-67(111)45(25-37-12-13-37)83-50(93)28-74)68(112)86-41(15-14-39(27-73)116-71-60(104)59(103)58(102)48(33-90)117-71)63(107)78-31-51(94)81-43(17-20-55(98)99)65(109)85-42(16-19-49(75)92)64(108)79-32-54(97)89-23-7-11-47(89)69(113)87-40(10-4-5-22-72)62(106)77-30-52(95)82-44(18-21-56(100)101)66(110)88-57(36(3)91)70(114)115/h6,8-9,24,35-37,39-48,57-60,71,90-91,102-104H,4-5,7,10-23,25-33,72-74H2,1-3H3,(H2,75,92)(H,76,105)(H,77,106)(H,78,107)(H,79,108)(H,80,111)(H,81,94)(H,82,95)(H,83,93)(H,84,96)(H,85,109)(H,86,112)(H,87,113)(H,88,110)(H,98,99)(H,100,101)(H,114,115)/t35-,36+,39+,40-,41-,42-,43-,44-,45-,46-,47-,48+,57-,58-,59-,60+,71+/m0/s1

inchikey

  • DDDYOMKJENRGHU-SNMXYFHVSA-N

mass

  • 1665.75280

monoisotopicmass

  • 1664.78935

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](CC1CC1)NC(=O)CN)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • glycyl-3-cyclopropyl-L-alanyl-L-alanylglycyl-3-methyl-L-phenylalanyl-(5R)-5-(beta-D-galactopyranosyloxy)-L-lysyl-glycyl-L-alpha-glutamyl-L-glutaminylglycyl-L-prolyl-L-lysylglycyl-L-alpha-glutamyl-L-threonine

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62392

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