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CHEBI:90831 - YSPFHKWFPSMH

ChEBI IDCHEBI:90831
ChEBI NameYSPFHKWFPSMH
Stars
DefinitionA twelve-membered polypeptide comprising the sequence Tyr-Ser-Pro-Phe-His-Lys-Trp-Phe-Pro-Ser-Met-His.
Last Modified4 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC77H98N18O16S
Net Charge0
Average Mass1563.808
Monoisotopic Mass1562.71289
SMILESCSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C77H98N18O16S/c1-112-31-27-56(68(101)91-61(77(110)111)37-50-40-81-44-84-50)86-72(105)62(41-96)92-74(107)65-22-12-29-94(65)75(108)60(34-46-16-6-3-7-17-46)90-70(103)58(35-48-38-82-54-19-9-8-18-52(48)54)87-67(100)55(20-10-11-28-78)85-71(104)59(36-49-39-80-43-83-49)88-69(102)57(33-45-14-4-2-5-15-45)89-73(106)64-21-13-30-95(64)76(109)63(42-97)93-66(99)53(79)32-47-23-25-51(98)26-24-47/h2-9,14-19,23-26,38-40,43-44,53,55-65,82,96-98H,10-13,20-22,27-37,41-42,78-79H2,1H3,(H,80,83)(H,81,84)(H,85,104)(H,86,105)(H,87,100)(H,88,102)(H,89,106)(H,90,103)(H,91,101)(H,92,107)(H,93,99)(H,110,111)/t53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1
InChIKeyJNNGSZMLUKSLCX-NTFSKXSTSA-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)
YSPFHKWFPSMH (CHEBI:90831) is a polypeptide (CHEBI:15841)
IUPAC Name 
L-tyrosyl-L-seryl-L-prolyl-L-phenylalanyl-L-histidyl-L-lysyl-L-tryptophyl-L-phenylalanyl-L-prolyl-L-seryl-L-methionyl-L-histidine
Synonyms  Source
L-Tyr-L-Ser-L-Pro-L-Phe-L-His-L-Lys-L-Trp-L-Phe-L-Pro-L-Ser-L-Met-L-HisChEBI
Tyr-Ser-Pro-Phe-His-Lys-Trp-Phe-Pro-Ser-Met-HisJCBN
Citations