CHEBI:53610 - O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine

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ChEBI Name O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine
ChEBI ID CHEBI:53610
ChEBI ASCII Name O-[N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosaminyl]-L-serine
Definition A non-proteinogenic L-α-amino acid that is N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosamine linked via an α glycosidic bond to the O at position 3 of L-serine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H37N3O16
Net Charge 0
Average Mass 599.53970
Monoisotopic Mass 599.21738
InChI InChI=1S/C22H37N3O16/c1-7(27)24-13-10(29)3-22(21(36)37,41-18(13)15(31)11(30)4-26)39-6-12-16(32)17(33)14(25-8(2)28)20(40-12)38-5-9(23)19(34)35/h9-18,20,26,29-33H,3-6,23H2,1-2H3,(H,24,27)(H,25,28)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16-,17+,18+,20-,22+/m0/s1
InChIKey RMINQIRDFIBNLE-NNRWGFCXSA-N
SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@H](OC[C@H](N)C(O)=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine (CHEBI:53610) is a L-serine derivative (CHEBI:84135)
O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine (CHEBI:53610) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
Incoming O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine residue (CHEBI:53606) is substituent group from O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine (CHEBI:53610)
IUPAC Name
O-[(5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-nonulopyranosylonic acid)-(2→6)-2-acetamido-2-deoxy-α-D-galactopyranosyl]-L-serine
Synonym Source
NeuAc(α→6)GalNAc(α1→O)Ser JCBN
Citations Waiting for Citations Types Sources
19447147 PubMed citation Europe PMC
23819648 PubMed citation Europe PMC
Last Modified
12 April 2022