Chemical identification
CAS identifier5949-29-1
Pubchem identifier22230
DSSTox identifierDTXSID7074668
IUPAC name2-hydroxypropane-1,2,3-tricarboxylic acid hydrate
Structure1,2,3-Propanetricarboxylic acid, 2-hydroxy-, hydrate (1:1)

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESOC(=O)C(CC(=O)O)(CC(=O)O)O.O
InChIInChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
InChIKeyYASYEJJMZJALEJ-UHFFFAOYSA-N

Chemical classification
KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
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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.