Chemical Components in the PDB

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FSM : Summary

Code

FSM

One-letter code

X

Molecule name

FORSMANN ANTIGEN

Synonyms

2-(ACETYLAMINO)-3-O-[2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GALACTOPYRANOSYL]-2-DEOXY-BETA-L-GALACTOPYRANOSE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl]-2-deoxy-beta-D-galactopyranose
OpenEye OEToolkits 1.5.0 N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide

Formula

C16 H28 N2 O11

Formal charge

0

Molecular weight

424.4 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC2C(OC1OC(C(O)C(O)C1NC(=O)C)CO)C(O)C(OC2O)CO)C
SMILES CACTVS 3.341 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](CO)O[CH](O)[CH]2NC(C)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)CO)O)NC(=O)C)CO)O)O
Canonical SMILES CACTVS 3.341 CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O)NC(=O)C)CO)O)O

IUPAC InChI

InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)11(23)7(3-19)28-16(9)29-14-10(18-6(2)22)15(26)27-8(4-20)12(14)24/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1

IUPAC InChI key

FJGXDMQHNYEUHI-LRFIHEIOSA-N
FSM

wwPDB Information

Atom count

57 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-10-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned