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CHEBI:176918 - CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate

ChEBI IDCHEBI:176918
ChEBI NameCMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27N4O14P
Net Charge0
Average Mass542.391
Monoisotopic Mass542.12614
SMILES[H][C@]1([C@H](O)CN)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C17H27N4O14P/c18-4-7(23)13-10(24)6(22)3-17(34-13,15(27)28)35-36(30,31)32-5-8-11(25)12(26)14(33-8)21-2-1-9(19)20-16(21)29/h1-2,6-8,10-14,22-26H,3-5,18H2,(H,27,28)(H,30,31)(H2,19,20,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1
InChIKeyDRAKZHNWGXXUTP-UOVSKDHASA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
ChEBI Ontology
Outgoing Relation(s)
CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate (CHEBI:176918) is a pyrimidine nucleotide-sugar (CHEBI:61109)
IUPAC Name 
(2R,4R,5R,6R)-6-[(1R)-2-amino-1-hydroxyethyl]-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
C21334KEGG COMPOUND