Mrv1652306131722042D          

 29 24  0  0  0  0            999 V2000
   -0.7315    0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315    1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170    1.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460    1.4419    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0170   -0.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974   -0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119   -0.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119    0.6169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1264   -0.6206    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4295   -0.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170   -1.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2545   -0.9226    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3955    0.5064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5091   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7946   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7946   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0801   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5091   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5091    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7946    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7946    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0801    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3341   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7466    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7466   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6841   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1604    1.8544    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    2.8409   -1.0331    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   -2.0795   -0.9226    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  CHG  8   4  -1   9  -1  12  -1  17  -1  22  -1  25  -1  27   2  28   2
M  CHG  1  29   2
M  END
> <DATABASE_ID>
DB11154

> <DATABASE_NAME>
drugbank

> <SMILES>
[Zn++].[Zn++].[Zn++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6

> <INCHI_KEY>
WGIWBXUNRXCYRA-UHFFFAOYSA-H

> <FORMULA>
C12H10O14Zn3

> <MOLECULAR_WEIGHT>
574.34

> <EXACT_MASS>
569.794481

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
14.225921410589983

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trizinc(2+) ion bis(2-hydroxypropane-1,2,3-tricarboxylate)

> <ALOGPS_LOGP>
0.04

> <JCHEM_LOGP>
-1.3226874519999998

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
4.674836176324

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0479515131680732

> <JCHEM_PKA_STRONGEST_BASIC>
-4.185693450231931

> <JCHEM_POLAR_SURFACE_AREA>
140.61999999999998

> <JCHEM_REFRACTIVITY>
68.13520000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.11e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trizinc(2+) ion dicitrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11154

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Zinc citrate

> <SYNONYMS>
Citric acid, zinc salt; Trizinc dicitrate

> <PRODUCTS>
Bio-b12; C-force; CHOpro; Cal-mag (one To One) With Potass & Zinc; Cal-mag Complete With Zinc, C and D; Calcium and Mag-potass and Zinc Cap; Calcium, Magnesium, Zinc and D; Calcium-magnesium With K & Zn and Vitamin D3; Children's Chewable Vit and Min Tab; Colgate Total Zx Pro-Shield Plus Sensitive; Collag-EN; Corvite 150; Derma-force; Dialyvite 3000; Dialyvite 5000; Dialyvite Supreme D; Dialyvite with Zinc; Dinosaurs Im-rap; E.S.T. Complex; EC + Complex; Feonyx; For Men; High Potency Multivitamins & Minerals Caplets; Hylazinc; Imm Formula; LiquiCal with Magnesium; Mhb; Multivitamins and Minerals for Young Men; Multivitamins and Minerals for Young Women; Nutravite Calcium Magnesium and Zinc Caps; Osteo-plus; Palm Springs Multvit and Min Tab; Prenatal Chelated Mineral; Super 7 Vitamin and Mineral Supplement; Vitamin A C E W.niacinam.beta Car.and Min.; Wellness Formula; Women's Formula; Zinc 50 mg; Zinc Citrate - Cap 30mg; Zinc Citrate Chelate Tab 50mg; Zinc Citrate Tab 15mg; Zinc Lozenges With Non-medicinal Echinacea; Zinc Lozenges With Vitamin C and Non-medicinal Echinacea; Zinc Tab 15mg; Zinc and Vitamin C Lozenges; Zincitrate Cap 30mg; neuroSAN

> <SALTS>
Zinc citrate trihydrate

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