U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H12O6
Molecular Weight 204.1773
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,5-Pentanetricarboxylic acid

SMILES

OC(=O)CCC(CCC(O)=O)C(O)=O

InChI

InChIKey=ROTJZTYLACIJIG-UHFFFAOYSA-N
InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
1,3,5-Pentanetricarboxylic acid
Systematic Name English
Pentane-1,3,5-tricarboxylic acid
Preferred Name English
NSC-60156
Code English
Code System Code Type Description
PUBCHEM
96220
Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025
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NSC
60156
Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025
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EPA CompTox
DTXSID50219529
Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025
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FDA UNII
BER6XSP3DG
Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025
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ECHA (EC/EINECS)
230-087-2
Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025
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CAS
6940-58-5
Created by admin on Tue Apr 01 19:35:47 GMT 2025 , Edited by admin on Tue Apr 01 19:35:47 GMT 2025
PRIMARY