Chemical Components in the PDB

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1WV : Summary

Code

1WV

One-letter code

X

Molecule name

(2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate
OpenEye OEToolkits 1.7.6 [(2S)-2,3-bis(oxidanyl)propyl] tetradec-7-enoate

Formula

C17 H32 O4

Formal charge

0

Molecular weight

300.434 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(OCC(O)CO)CCCCC/C=C/CCCCCC
SMILES CACTVS 3.385 CCCCCCC=CCCCCCC(=O)OC[CH](O)CO
SMILES OpenEye OEToolkits 1.7.6 CCCCCCC=CCCCCCC(=O)OCC(CO)O
Canonical SMILES CACTVS 3.385 CCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O

IUPAC InChI

InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/t16-/m0/s1

IUPAC InChI key

LVBAGTJIDOCNIJ-INIZCTEOSA-N
1WV

wwPDB Information

Atom count

53 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-07-12

Last modified at

2013-09-20

Status

Released

Obsoleted

Not Assigned