CHEBI:18098 - CMP-N-glycoloyl-β-neuraminic acid

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ChEBI Name CMP-N-glycoloyl-β-neuraminic acid ChEBI ID CHEBI:18098 ChEBI ASCII Name CMP-N-glycoloyl-beta-neuraminic acid Definition A CMP-N-acyl-β-neuraminic acid in which the N-acyl group is glycoloyl. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:13278, CHEBI:20877, CHEBI:13280, CHEBI:3280 Supplier Information ChemicalBook:CB6670456, eMolecules:478502, Selleckchem:Arbutin(Uva,-p-Arbutin), ZINC000000518554 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H31N4O17P Net Charge 0 Average Mass 630.45066 Monoisotopic Mass 630.14218 InChI InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1 InChIKey HOEWKBQADMRCLO-UIUGZIMDSA-N SMILES [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(=O)CO)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O)[C@H](O)[C@H](O)CO Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098) has role mouse metabolite (CHEBI:75771) CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098) is a CMP-N-acyl-β-neuraminic acid (CHEBI:16788) CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098) is conjugate acid of CMP-N-glycoloyl-β-neuraminate(2−) (CHEBI:58376) Incoming CMP-N-glycoloyl-β-neuraminate(2−) (CHEBI:58376) is conjugate base of CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098) IUPAC Name cytidine 5'-[3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-β-D-galacto-non-2-ulopyranosylonic acid monophosphate] Synonyms Sources CMP-β-Neu5Gc ChEBI CMP-N-glycoloylneuraminate KEGG COMPOUND CMP-N-glycolylneuraminate KEGG COMPOUND CMP-Neu5Gc ChEBI CMP-NeuNGc KEGG COMPOUND cytidine-5'-monophosphono-N-glycoloyllneuraminic acid ChEBI Manual Xref Database C03691 KEGG COMPOUND View more database links Registry Numbers Types Sources 7789465 Beilstein Registry Number Beilstein 7789465 Reaxys Registry Number Reaxys Citations Types Sources 15556760 PubMed citation Europe PMC 27373998 PubMed citation Europe PMC Last Modified 12 September 2016