Chemical Components in the PDB

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UZD : Summary

Code

UZD

One-letter code

X

Molecule name

methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside

Systematic names

ProgramVersionName
ACDLabs 12.01 methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside
OpenEye OEToolkits 2.0.7 [(2~{S},3~{R},4~{S},5~{R},6~{S})-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ~{N}-heptylcarbamate

Formula

C15 H29 N O7

Formal charge

0

Molecular weight

335.393 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC
SMILES CACTVS 3.385 CCCCCCCNC(=O)OC[CH]1O[CH](OC)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCNC(=O)OCC1C(C(C(C(O1)OC)O)O)O
Canonical SMILES CACTVS 3.385 CCCCCCCNC(=O)OC[C@@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCCNC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O

IUPAC InChI

InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1

IUPAC InChI key

XPIVOYOQXKNYHA-YHQUGGNUSA-N
UZD

wwPDB Information

Atom count

52 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

Yes

Standard parent

GLC

Defined at

2020-06-08

Last modified at

2020-12-18

Status

Released

Obsoleted

Not Assigned