Chemical Components in the PDB

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ZP7 : Summary

Code

ZP7

One-letter code

X

Molecule name

(2S)-2,3-dihydroxypropyl hexadecanoate

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2,3-dihydroxypropyl hexadecanoate
OpenEye OEToolkits 2.0.7 [(2~{S})-2,3-bis(oxidanyl)propyl] hexadecanoate

Formula

C19 H38 O4

Formal charge

0

Molecular weight

330.503 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCC(O)COC(=O)CCCCCCCCCCCCCCC
SMILES CACTVS 3.385 CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCCCC(=O)OCC(CO)O
Canonical SMILES CACTVS 3.385 CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O

IUPAC InChI

InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1

IUPAC InChI key

QHZLMUACJMDIAE-SFHVURJKSA-N
ZP7

wwPDB Information

Atom count

61 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-05-18

Last modified at

2021-11-12

Status

Released

Obsoleted

Not Assigned