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CHEBI:90925 - QINTAKWWKTHF

ChEBI IDCHEBI:90925
ChEBI NameQINTAKWWKTHF
Stars
DefinitionA twelve-membered polypeptide comprising the sequence Gln-Ile-Asn-Thr-Ala-Lys-Trp-Trp-Lys-Thr-His-Phe.
Last Modified13 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC75H106N20O17
Net Charge0
Average Mass1559.796
Monoisotopic Mass1558.80448
SMILESCCC(C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)O)C(C)O
InChIInChI=1S/C75H106N20O17/c1-6-39(2)61(93-65(101)49(78)26-27-59(79)98)72(108)91-57(34-60(80)99)71(107)95-62(41(4)96)73(109)85-40(3)64(100)86-52(24-14-16-28-76)66(102)88-55(32-45-36-83-51-23-13-11-21-48(45)51)69(105)89-54(31-44-35-82-50-22-12-10-20-47(44)50)68(104)87-53(25-15-17-29-77)67(103)94-63(42(5)97)74(110)90-56(33-46-37-81-38-84-46)70(106)92-58(75(111)112)30-43-18-8-7-9-19-43/h7-13,18-23,35-42,49,52-58,61-63,82-83,96-97H,6,14-17,24-34,76-78H2,1-5H3,(H2,79,98)(H2,80,99)(H,81,84)(H,85,109)(H,86,100)(H,87,104)(H,88,102)(H,89,105)(H,90,110)(H,91,108)(H,92,106)(H,93,101)(H,94,103)(H,95,107)(H,111,112)/t39?,40-,41?,42?,49-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-/m0/s1
InChIKeyPOWNYOIZNYJOKK-TWGMSMPLSA-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)
QINTAKWWKTHF (CHEBI:90925) is a polypeptide (CHEBI:15841)
IUPAC Name 
L-glutaminyl-L-isoleucyl-L-asparaginyl-L-threonyl-L-alanyl-L-lysyl-L-tryptophyl-L-tryptophyl-L-lysyl-L-threonyl-L-histidyl-L-phenylalanine
Synonyms  Source
Gln-Ile-Asn-Thr-Ala-Lys-Trp-Trp-Lys-Thr-His-PheJCBN
L-Gln-L-Ile-L-Asn-L-Thr-L-Ala-L-Lys-L-Trp-L-Trp-L-Lys-L-Thr-L-His-L-PheChEBI
Citations