MAV
alpha-D-mannopyranuronic acid
Created: | 2002-12-18 |
Last modified: | 2020-07-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 5 |
Bond Count | 23 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | alpha-D-mannopyranuronic acid |
Synonyms | alpha-D-mannuronic acid; D-mannuronic acid; mannuronic acid |
Systematic Name (OpenEye OEToolkits) | (2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
Formula | C6 H10 O7 |
Molecular Weight | 194.139 |
Type | D-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1OC(O)C(O)C(O)C1O |
SMILES | CACTVS | 3.370 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | C1(C(C(OC(C1O)O)C(=O)O)O)O |
Canonical SMILES | CACTVS | 3.370 | O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | [C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6-/m0/s1 |
InChIKey | InChI | 1.03 | AEMOLEFTQBMNLQ-BYHBOUFCSA-N |
Drug Info: DrugBank
DrugBank ID | DB01982 |
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Name | D-Mannuronic Acid |
Groups | experimental |
Synonyms | D-Mannuronic Acid |
CAS number | 1986-14-7 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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AlgQ1 | MKKLVLAMAIGSSALMFAAPSVVAREATWVTEKPLTLKIHMHFRDKWVWD... | unknown | |
AlgQ2 | MKKMMLSVAAVATLMAFAAPVATAKEATWVTDKPLTLKIHMHFRDKWVWD... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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PubChem | 657117 |
ChEBI | CHEBI:16224 |