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CHEBI:90834 - IPQVWRDWFKLP

ChEBI IDCHEBI:90834
ChEBI NameIPQVWRDWFKLP
Stars
DefinitionA twelve-membered polypeptide comprising the sequence Ile-Pro-Gln-Val-Trp-Arg-Asp-Trp-Phe-Lys-Leu-Pro.
Last Modified12 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC79H113N19O16
Net Charge0
Average Mass1584.890
Monoisotopic Mass1583.86127
SMILESCCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C
InChIInChI=1S/C79H113N19O16/c1-7-45(6)65(82)77(112)97-34-18-28-61(97)74(109)90-55(30-31-63(81)99)69(104)96-66(44(4)5)75(110)94-58(39-48-42-87-52-25-14-12-23-50(48)52)71(106)89-54(27-17-33-85-79(83)84)67(102)93-59(40-64(100)101)73(108)92-57(38-47-41-86-51-24-13-11-22-49(47)51)72(107)91-56(37-46-20-9-8-10-21-46)70(105)88-53(26-15-16-32-80)68(103)95-60(36-43(2)3)76(111)98-35-19-29-62(98)78(113)114/h8-14,20-25,41-45,53-62,65-66,86-87H,7,15-19,26-40,80,82H2,1-6H3,(H2,81,99)(H,88,105)(H,89,106)(H,90,109)(H,91,107)(H,92,108)(H,93,102)(H,94,110)(H,95,103)(H,96,104)(H,100,101)(H,113,114)(H4,83,84,85)/t45?,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1
InChIKeyJVNFULBJTMEXGY-AEZLTPMFSA-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)
IPQVWRDWFKLP (CHEBI:90834) is a polypeptide (CHEBI:15841)
IUPAC Name 
L-isoleucyl-L-prolyl-L-glutaminyl-L-valyl-L-tryptophyl-L-arginyl-L-α-aspartyl-L-tryptophyl-L-phenylalanyl-L-lysyl-L-leucyl-L-proline
Synonyms  Source
Ile-Pro-Gln-Val-Trp-Arg-Asp-Trp-Phe-Lys-Leu-ProIUPAC
L-Ile-L-Pro-L-Gln-L-Val-L-Trp-L-Arg-L-Asp-L-Trp-L-Phe-L-Lys-L-Leu-L-ProChEBI
Citations