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LH9 : Summary

Code

LH9

One-letter code

X

Molecule name

[(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate

Formula

C20 H38 O4

Formal charge

0

Molecular weight

342.513 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
Canonical SMILES CACTVS 3.385 CCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)O

IUPAC InChI

InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h8-9,19,21-22H,2-7,10-18H2,1H3/t19-/m0/s1

IUPAC InChI key

NXAQGVNJNZDCNZ-IBGZPJMESA-N
LH9

wwPDB Information

Atom count

62 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-11

Last modified at

2020-12-11

Status

Released

Obsoleted

Not Assigned