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Murcko scaffold

Ring system with 4 rings and 29 atoms

6 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
6
With full pages
2
Scaffold SMILES

C1CCC(COC2CCCC(COC3CC(OC4CCCCO4)CCO3)O2)OC1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold C1CCC(COC2CCCC(COC3CC(OC4CCCCO4)CCO3)O2)OC1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 6 of 6 chemicals

3-Deoxy-2-octulosonic acid(2)-lipid IV(A) chemical structure, C84H154N2O37P2, CAS 143600-83-3
3-Deoxy-2-octulosonic acid(2)-lipid IV(A)
CAS 143600-83-3C84H154N2O37P2
2-[2-Carboxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-dodecanoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid chemical structure, C110H202N2O39P2, CAS 6917-66-4
2-[2-Carboxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-dodecanoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid
CAS 6917-66-4C110H202N2O39P2
KDO2-Lipid A chemical structure, C110H202N2O39P2, CAS 123621-04-5
KDO2-Lipid A
CAS 123621-04-5C110H202N2O39P2
Kdo2-Lipid A ammonium chemical structure, C110H214N6O39P2, CAS 1246298-62-3
Kdo2-Lipid A ammonium
CAS 1246298-62-3C110H214N6O39P2
Di[3-deoxy-D-manno-octulosonyl]-lipid A (ammonium salt) chemical structure, C110H205N3O39P2
Di[3-deoxy-D-manno-octulosonyl]-lipid A (ammonium salt)
C110H205N3O39P2
Orb1691874 chemical structure, C110H214N6O39P2
Orb1691874
C110H214N6O39P2