Chemical Components in the PDB

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GL9 : Summary

Code

GL9

One-letter code

X

Molecule name

N-[(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide

Synonyms

N-(8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DEC-3-YL-ACETAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide
OpenEye OEToolkits 1.5.0 N-[(5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,4-dioxo-10-oxa-1,3-diazaspiro[4.5]decan-3-yl]ethanamide

Formula

C10 H15 N3 O8

Formal charge

0

Molecular weight

305.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2N(C(=O)NC21OC(C(O)C(O)C1O)CO)NC(=O)C
SMILES CACTVS 3.341 CC(=O)NN1C(=O)N[C]2(O[CH](CO)[CH](O)[CH](O)[CH]2O)C1=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NN1C(=O)C2(C(C(C(C(O2)CO)O)O)O)NC1=O
Canonical SMILES CACTVS 3.341 CC(=O)NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)NN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O

IUPAC InChI

InChI=1S/C10H15N3O8/c1-3(15)12-13-8(19)10(11-9(13)20)7(18)6(17)5(16)4(2-14)21-10/h4-7,14,16-18H,2H2,1H3,(H,11,20)(H,12,15)/t4-,5-,6+,7-,10+/m1/s1

IUPAC InChI key

MAHIOGAAEAWGLR-UTAYWCBXSA-N
GL9

wwPDB Information

Atom count

36 (21 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2000-09-15

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned