Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 4C10H18NO5.2Ca.H2O |
Molecular Weight | 1027.186 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Ca++].[Ca++].CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O.CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O.CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O.CC(C)(CO)[C@@H](O)C(=O)NCCCC([O-])=O
InChI
InChIKey=NNHRASUFFPCRBJ-MIOUZRKOSA-J
InChI=1S/4C10H19NO5.2Ca.H2O/c4*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;;;/h4*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);;;1H2/q;;;;2*+2;/p-4/t4*8-;;;/m0000.../s1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C47795
Created by
admin on Fri Dec 15 16:54:45 UTC 2023 , Edited by admin on Fri Dec 15 16:54:45 UTC 2023
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DBSALT002703
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admin on Fri Dec 15 16:54:45 UTC 2023 , Edited by admin on Fri Dec 15 16:54:45 UTC 2023
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m6053
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admin on Fri Dec 15 16:54:45 UTC 2023 , Edited by admin on Fri Dec 15 16:54:45 UTC 2023
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100000153455
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76567-35-6
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CHEMBL2110783
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admin on Fri Dec 15 16:54:45 UTC 2023 , Edited by admin on Fri Dec 15 16:54:45 UTC 2023
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C87460
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11954325
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RQA63PEI5Q
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DTXSID40474645
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SUB127463
Created by
admin on Fri Dec 15 16:54:45 UTC 2023 , Edited by admin on Fri Dec 15 16:54:45 UTC 2023
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ACTIVE MOIETY
ACTIVE MOIETY
SUBSTANCE RECORD