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CHEBI:41088 - 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE

Default Structure
ChEBI IDCHEBI:41088
ChEBI Name4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H30N3O14S2
Net Charge+1
Average Mass552.557
Monoisotopic Mass552.11637
SMILES[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])S(=O)(=O)O[H])[N+]([H])([H])[C@]2([H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])OS(=O)(=O)O[H]
InChIInChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/p+1/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1
InChIKeyRPNZWZDLNYCCIG-HMMVDTEZSA-O
ChEBI Ontology
Outgoing Relation(s)
4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE (CHEBI:41088) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3S,5S)-2-(hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]pyrrolidinium-3-yl 2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-glucopyranosidePDBeChem
4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINEPDBeChem
Manual XrefsDatabases
BLGPDBeChem