CHEBI:60244 - Ac-Asp-Lys-Ala-Thr-Ile-Gly-Phe-Glu-Val-Gln-Glu-Glu

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ChEBI Name Ac-Asp-Lys-Ala-Thr-Ile-Gly-Phe-Glu-Val-Gln-Glu-Glu
ChEBI ID CHEBI:60244
Definition A twelve-membered oligopeptide comprising AcAsp, Lys, Ala, Thr, Ile, Gly, Phe, Glu, Val, Gln, Glu and Glu residues joined in sequence.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C61H94N14O24
Net Charge 0
Average Mass 1407.47850
Monoisotopic Mass 1406.65654
InChI InChI=1S/C61H94N14O24/c1-8-30(4)49(74-60(97)50(32(6)76)75-51(88)31(5)65-52(89)35(16-12-13-25-62)68-57(94)41(27-47(86)87)66-33(7)77)58(95)64-28-43(79)67-40(26-34-14-10-9-11-15-34)56(93)70-38(19-23-45(82)83)55(92)73-48(29(2)3)59(96)71-36(17-21-42(63)78)53(90)69-37(18-22-44(80)81)54(91)72-39(61(98)99)20-24-46(84)85/h9-11,14-15,29-32,35-41,48-50,76H,8,12-13,16-28,62H2,1-7H3,(H2,63,78)(H,64,95)(H,65,89)(H,66,77)(H,67,79)(H,68,94)(H,69,90)(H,70,93)(H,71,96)(H,72,91)(H,73,92)(H,74,97)(H,75,88)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,98,99)/t30-,31-,32+,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1
InChIKey QCHQVPPBLFSODM-MZWCVTMLSA-N
SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ac-Asp-Lys-Ala-Thr-Ile-Gly-Phe-Glu-Val-Gln-Glu-Glu (CHEBI:60244) is a polypeptide (CHEBI:15841)
IUPAC Name
N-acetyl-L-α-aspartyl-L-lysyl-L-alanyl-L-threonyl-L-isoleucylglycyl-L-phenylalanyl-L-α-glutamyl-L-valyl-L-glutaminyl-L-α-glutamyl-L-glutamic acid
Synonyms Sources
acetylated E2 component of pyruvate dehydrogenase ChEBI
N-acetyl-aspartyllysylalanylthreonylisoleucylglycylphenylalanylglutamylvalylglutaminylglutamylglutamic acid ChEBI
PDC-E2 ChEBI
Last Modified
13 October 2014