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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
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 Waiting for Citations Types Sources
15556760 PubMed citation Europe PMC
27373998 PubMed citation Europe PMC
Last Modified
12 September 2016