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Murcko scaffold

Ring system with 3 rings and 21 atoms

17 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
17
With full pages
5
Scaffold SMILES

C1CCC(OCC2CCCC(OC3CCCOC3)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(OCC2CCCC(OC3CCCOC3)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 17 of 17 chemicals

O-(N-Acetyl-alpha-neuraminosyl)-(2->6)-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose chemical structure, C25H42N2O19, CAS 64364-50-7
O-(N-Acetyl-alpha-neuraminosyl)-(2->6)-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
CAS 64364-50-7C25H42N2O19
2-O-(6-O-Glycero-manno-heptopyranosyl-glucopyranosyl)glucopyranose chemical structure, C19H34O17, CAS 144260-91-3
2-O-(6-O-Glycero-manno-heptopyranosyl-glucopyranosyl)glucopyranose
CAS 144260-91-3C19H34O17
63-O-alpha-D-Glucosylmaltotriose chemical structure, C24H42O21, CAS 35175-16-7
63-O-alpha-D-Glucosylmaltotriose
CAS 35175-16-7C24H42O21
N-Acetylneuraminyl-2-6-galactopyranosyl-1-4-N-acetylglucosaminyl-1-O-pent-4-ene chemical structure, C30H50N2O19, CAS 151960-90-6
N-Acetylneuraminyl-2-6-galactopyranosyl-1-4-N-acetylglucosaminyl-1-O-pent-4-ene
CAS 151960-90-6C30H50N2O19
I(2)-D-Glucopyranoside, 6-aminohexyl O-(N-acetyl-I+/--neuraminosyl)-(2a6)-O-I(2)-D-galactopyranosyl-(1a4)-2-(acetylamino)-2-deoxy- chemical structure, C31H55N3O19, CAS 173447-80-8
I(2)-D-Glucopyranoside, 6-aminohexyl O-(N-acetyl-I+/--neuraminosyl)-(2a6)-O-I(2)-D-galactopyranosyl-(1a4)-2-(acetylamino)-2-deoxy-
CAS 173447-80-8C31H55N3O19
beta-D-GlcpNAc-(1->6)-beta-D-Galp-(1->4)-D-Glcp chemical structure, C20H35NO16, CAS 68665-69-0
beta-D-GlcpNAc-(1->6)-beta-D-Galp-(1->4)-D-Glcp
CAS 68665-69-0C20H35NO16
6'-Sialyl-N-acetyllactosamine chemical structure, C25H42N2O19, CAS 78969-47-8
6'-Sialyl-N-acetyllactosamine
CAS 78969-47-8C25H42N2O19
RefChem:934809 chemical structure, C23H39NO19, CAS 56144-12-8
RefChem:934809
CAS 56144-12-8C23H39NO19
GlyTouCan:G39744RB chemical structure, C20H35NO16
GlyTouCan:G39744RB
C20H35NO16
alpha-Neup5Gc-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc chemical structure, C25H42N2O20, CAS 1015759-32-6
alpha-Neup5Gc-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
CAS 1015759-32-6C25H42N2O20
Neuramin lactose, Neuraminyllactose, Sialyllactose, -2,3-Sialyllactose chemical structure, C23H38NNaO19, CAS 74609-39-5
Neuramin lactose, Neuraminyllactose, Sialyllactose, -2,3-Sialyllactose
CAS 74609-39-5C23H38NNaO19
GlyTouCan:G36065XF chemical structure, C20H35NO16
GlyTouCan:G36065XF
C20H35NO16
3-Aminopropyl O-(N-acetyl-|A-neuraminosyl)-(2 inverted exclamation marku6)-O-|A-D-galactopyranosyl-(1 inverted exclamation marku4)-|A-D-glucopyranoside chemical structure, C26H46N2O19, CAS 499115-21-8
3-Aminopropyl O-(N-acetyl-|A-neuraminosyl)-(2 inverted exclamation marku6)-O-|A-D-galactopyranosyl-(1 inverted exclamation marku4)-|A-D-glucopyranoside
CAS 499115-21-8C26H46N2O19
6'-Sialyl-N-acetyllactosamine-?-ethylamine chemical structure, C27H47N3O19, CAS 875543-41-2
6'-Sialyl-N-acetyllactosamine-?-ethylamine
CAS 875543-41-2C27H47N3O19
6-?-D-Glucopyranosyl maltotriose-13C6 chemical structure, C24H42O21, CAS 379261-84-4
6-?-D-Glucopyranosyl maltotriose-13C6
CAS 379261-84-4C24H42O21
Neu5Ac?(2-6)Gal?(1-4)GlcNAc-?-ethylamine chemical structure, C27H47N3NaO19, CAS 2765625-81-6
Neu5Ac?(2-6)Gal?(1-4)GlcNAc-?-ethylamine
CAS 2765625-81-6C27H47N3NaO19
[1,2,3-13C3]6'-Sialyllactose Sodium SaltDISCONTINUED chemical structure, C23H38NNaO19
[1,2,3-13C3]6'-Sialyllactose Sodium SaltDISCONTINUED
C23H38NNaO19