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

Details

Stereochemistry RACEMIC
Molecular Formula C7H10O7
Molecular Weight 206.1501
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HOMOCITRIC ACID, (±)-

SMILES

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

InChI

InChIKey=XKJVEVRQMLKSMO-UHFFFAOYSA-N
InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C7H10O7
Molecular Weight 206.1501
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
5883XD8HH4
Record Status Validated (UNII)
Record Version