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CHEBI:79379 - YIIKGLFWDPAC

Default Structure
ChEBI IDCHEBI:79379
ChEBI NameYIIKGLFWDPAC
Stars
DefinitionA twelve-membered polypeptide comprising the sequence Tyr-Ile-Ile-Lys-Gly-Leu-Phe-Trp-Asp-Pro-Ala-Cys. Corresponds to the P34166[24-35] fragment of mating hormone A-factor 2 from Saccharomyces cerevisiae (strain ATCC 204508/S288c).
Last Modified24 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC70H100N14O16S
Net Charge0
Average Mass1425.719
Monoisotopic Mass1424.71624
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C70H100N14O16S/c1-8-39(5)58(83-68(97)59(40(6)9-2)82-61(90)47(72)31-43-24-26-45(85)27-25-43)67(96)77-49(22-15-16-28-71)62(91)74-36-56(86)76-50(30-38(3)4)63(92)78-51(32-42-18-11-10-12-19-42)64(93)79-52(33-44-35-73-48-21-14-13-20-46(44)48)65(94)80-53(34-57(87)88)69(98)84-29-17-23-55(84)66(95)75-41(7)60(89)81-54(37-101)70(99)100/h10-14,18-21,24-27,35,38-41,47,49-55,58-59,73,85,101H,8-9,15-17,22-23,28-34,36-37,71-72H2,1-7H3,(H,74,91)(H,75,95)(H,76,86)(H,77,96)(H,78,92)(H,79,93)(H,80,94)(H,81,89)(H,82,90)(H,83,97)(H,87,88)(H,99,100)/t39-,40-,41-,47-,49-,50-,51-,52-,53-,54-,55-,58-,59-/m0/s1
InChIKeyDAMHYQXGGSDTJL-PDZOUMBWSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (6306574) Strain: ATCC 204508 / S288c
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
YIIKGLFWDPAC (CHEBI:79379) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
YIIKGLFWDPAC (CHEBI:79379) is a polypeptide (CHEBI:15841)
Incoming Relation(s)
A-factor (CHEBI:79381) has part YIIKGLFWDPAC (CHEBI:79379)
IUPAC Name 
L-tyrosyl-L-isoleucyl-L-isoleucyl-L-lysylglycyl-L-leucyl-L-phenylalanyl-L-tryptophyl-L-α-aspartyl-L-prolyl-L-alanyl-L-cysteine
Synonyms  Source
P34166[24-35]ChEBI
L-Tyr-L-Ile-L-Ile-L-Lys-Gly-L-Leu-L-Phe-L-Trp-L-Asp-L-Pro-L-Ala-L-CysChEBI
Tyr-Ile-Ile-Lys-Gly-Leu-Phe-Trp-Asp-Pro-Ala-CysChEBI