CHEBI:143469 - 1-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-3-(4-acetamidobenzenesulfonamido)-2-phenyl-1lambda5-pyrazol-1-ylium

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ChEBI Name 1-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-3-(4-acetamidobenzenesulfonamido)-2-phenyl-1lambda5-pyrazol-1-ylium
ChEBI ID CHEBI:143469
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C23H25N4O9S
Net Charge +1
Average Mass 533.533
Monoisotopic Mass 533.134
InChI InChI=1S/C23H24N4O9S/c1-13(28)24-14-7-9-16(10-8-14)37(34,35)25-17-11-12-26(27(17)15-5-3-2-4-6-15)22-20(31)18(29)19(30)21(36-22)23(32)33/h2-12,18-22,29-31H,1H3,(H2,24,28,32,33)/p+1/t18-,19-,20+,21-,22?/m0/s1
InChIKey VFIUCIMNWVNBGY-ZWWRZYQRSA-O
SMILES S(=O)(=O)(NC=1N([N+](C2O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]2O)O)=CC1)C3=CC=CC=C3)C4=CC=C(NC(=O)C)C=C4
ChEBI Ontology
Outgoing 1-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-3-(4-acetamidobenzenesulfonamido)-2-phenyl-1lambda5-pyrazol-1-ylium (CHEBI:143469) is a organic cation (CHEBI:25697)
Last Modified
27 February 2024