Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C6H13NO2.C5H8NO4.5C4H6NO4.C2H5NO2.2Ca.2H |
| Molecular Weight | 1095.006 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[Ca++].[Ca++].NCC(O)=O.CC(C)C[C@H](N)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CCC([O-])=O)C(O)=O
InChI
InChIKey=BLBZANFDUPLJAX-UZIJLSAESA-J
InChI=1S/C6H13NO2.C5H9NO4.5C4H7NO4.C2H5NO2.2Ca/c1-4(2)3-5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;5*5-2(4(8)9)1-3(6)7;3-1-2(4)5;;/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10);5*2H,1,5H2,(H,6,7)(H,8,9);1,3H2,(H,4,5);;/q;;;;;;;;2*+2/p-4/t5-;3-;5*2-;;;/m0000000.../s1
| Molecular Formula | H |
| Molecular Weight | 1.0079 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C5H8NO4 |
| Molecular Weight | 146.1213 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C2H5NO2 |
| Molecular Weight | 75.0666 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C4H6NO4 |
| Molecular Weight | 132.0947 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:47:15 GMT 2023
by
admin
on
Sat Dec 16 14:47:15 GMT 2023
|
| Record UNII |
93NZG1UXU0
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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93NZG1UXU0
Created by
admin on Sat Dec 16 14:47:15 GMT 2023 , Edited by admin on Sat Dec 16 14:47:15 GMT 2023
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145721929
Created by
admin on Sat Dec 16 14:47:15 GMT 2023 , Edited by admin on Sat Dec 16 14:47:15 GMT 2023
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