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Concept information

ترکیب اکسیژن ارگانیک > کربوکسامید > پپتید > گلیکوپپتید > Gly Aic Ala Gly Cha Lys(5 GalO) Gly Glu Gln Gly Pro Lys Gly Glu Thr

Preferred term

Gly Aic Ala Gly Cha 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

  • C74H116N18O28

inchi

  • InChI=1S/C74H116N18O28/c1-37(83-73(118)74(91-52(96)31-77)28-40-13-6-7-14-41(40)29-74)63(108)79-32-55(99)86-48(27-39-11-4-3-5-12-39)69(114)88-44(18-17-42(30-76)119-72-62(107)61(106)60(105)50(36-93)120-72)65(110)81-34-53(97)84-46(20-23-57(101)102)67(112)87-45(19-22-51(78)95)66(111)82-35-56(100)92-26-10-16-49(92)70(115)89-43(15-8-9-25-75)64(109)80-33-54(98)85-47(21-24-58(103)104)68(113)90-59(38(2)94)71(116)117/h6-7,13-14,37-39,42-50,59-62,72,93-94,105-107H,3-5,8-12,15-36,75-77H2,1-2H3,(H2,78,95)(H,79,108)(H,80,109)(H,81,110)(H,82,111)(H,83,118)(H,84,97)(H,85,98)(H,86,99)(H,87,112)(H,88,114)(H,89,115)(H,90,113)(H,91,96)(H,101,102)(H,103,104)(H,116,117)/t37-,38+,42+,43-,44-,45-,46-,47-,48-,49-,50+,59-,60-,61-,62+,72+/m0/s1

inchikey

  • GTWHGRVTLAMSDR-PIBLHNSSSA-N

mass

  • 1705.81660

monoisotopicmass

  • 1704.82065

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](CC1CCCCC1)NC(=O)CNC(=O)[C@H](C)NC(=O)C1(Cc2ccccc2C1)NC(=O)CN)C(O)=O

subset

  • 3_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62404

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