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CHEBI:42986 - 2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACID

Default Structure
ChEBI IDCHEBI:42986
ChEBI Name2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACID
Stars
DownloadsMolfile
FormulaC12H22N4O7
Net Charge0
Average Mass334.329
Monoisotopic Mass334.14885
SMILES[H]/N=C(\N([H])[H])N([H])[C@@]1([H])C([H])([H])[C@]([H])(C(=O)O[H])O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]1([H])N([H])C(=O)C([H])([H])[H]
InChIInChI=1S/C12H22N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h5-10,17,19-20H,2-3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,7+,8+,9+,10+/m0/s1
InChIKeyDAAUVSVERFXBSX-IHICSVBISA-N
ChEBI Ontology
Outgoing Relation(s)
2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACID (CHEBI:42986) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACIDPDBeChem
5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-erythro-L-manno-nononic acidPDBeChem
Manual XrefsDatabases
GNAPDBeChem