Chemical identification
CAS identifier8001-79-4
Pubchem identifier14030006
DSSTox identifierDTXSID7024742
IUPAC name2,3-bis[[(Z)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z)-12-hydroxyoctadec-9-enoate
StructureCastor oil

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESCCCCCCC(C/C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=CCC(CCCCCC)O)COC(=O)CCCCCCC/C=CCC(CCCCCC)O)O
InChIInChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27-
InChIKeyZEMPKEQAKRGZGQ-AAKVHIHISA-N

Chemical classification
KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassGlycerolipids
DISCLAIMER

TICToK is a database of tattoo ink chemicals compiled from different regulatory resources. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on tattoo ink chemicals is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.