Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C5H8NO4.C4H8NO3.2C4H6NO4.C3H6NO3.Ca.3H |
| Molecular Weight | 675.608 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[H+].[Ca++].N[C@@H](C[O-])C(O)=O.CC([O-])[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](CCC([O-])=O)C(O)=O
InChI
InChIKey=FDJYOIYXRXCUDT-NUCDFPQGSA-N
InChI=1S/C5H9NO4.2C4H7NO4.C4H8NO3.C3H6NO3.Ca/c6-3(5(9)10)1-2-4(7)8;2*5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7;/h3H,1-2,6H2,(H,7,8)(H,9,10);2*2H,1,5H2,(H,6,7)(H,8,9);2-3H,5H2,1H3,(H,7,8);2H,1,4H2,(H,6,7);/q;;;2*-1;+2/t3-;2*2-;2-,3+;2-;/m00010./s1
| Molecular Formula | C3H6NO3 |
| Molecular Weight | 104.0846 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 | 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 | C4H8NO3 |
| Molecular Weight | 118.1112 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:09:52 GMT 2023
by
admin
on
Sat Dec 16 15:09:52 GMT 2023
|
| Record UNII |
9P9H8DCU9O
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
| Code System | Code | Type | Description | ||
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138454988
Created by
admin on Sat Dec 16 15:09:52 GMT 2023 , Edited by admin on Sat Dec 16 15:09:52 GMT 2023
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PRIMARY | |||
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9P9H8DCU9O
Created by
admin on Sat Dec 16 15:09:52 GMT 2023 , Edited by admin on Sat Dec 16 15:09:52 GMT 2023
|
PRIMARY |