CHEBI:229682 - ergothioneyl-α-D-lincosamide(+1)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name ergothioneyl-α-D-lincosamide(+1)
ChEBI ID CHEBI:229682
ChEBI ASCII Name ergothioneyl-alpha-D-lincosamide(+1)
Definition Major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C17H31N4O7S
Net Charge +1
Average Mass 435.520
Monoisotopic Mass 435.19080
InChI InChI=1S/C17H30N4O7S/c1-7(22)10(18)14-12(24)11(23)13(25)16(28-14)29-17-19-6-8(20-17)5-9(15(26)27)21(2,3)4/h6-7,9-14,16,22-25H,5,18H2,1-4H3,(H-,19,20,26,27)/p+1/t7-,9+,10-,11+,12-,13-,14-,16-/m1/s1
InChIKey MZDFOQLXMBUKGA-KSZMXYAJSA-O
SMILES C[C@@H](O)[C@@H]([NH3+])[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](SC=2NC=C(C[C@@H](C(=O)[O-])[N+](C)(C)C)N2)O1
ChEBI Ontology
Outgoing ergothioneyl-α-D-lincosamide(+1) (CHEBI:229682) is a S-glycosyl compound (CHEBI:35275)
ergothioneyl-α-D-lincosamide(+1) (CHEBI:229682) is a monosaccharide derivative (CHEBI:63367)
ergothioneyl-α-D-lincosamide(+1) (CHEBI:229682) is a quaternary ammonium ion (CHEBI:35267)
Synonym Source
ergothioneyl-α-D-lincosamide UniProt
Manual Xref Database
CPD-22829 MetaCyc accession
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Citation Waiting for Citations Type Source
25607359 PubMed citation SUBMITTER