Panose
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Formula: C18H32O16
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Molecular weight: 504.40
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Smiles: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O)O)O)O
Panose
Names
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Mycotoxin name: Panose
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First synonym: Panose
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Synonyms: Panose,33401-87-5,D-Panose,(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal,O-alpha-D-Glucopyranosyl-(1.6)-O-alpha-D-glucopyranosyl-(1.4)-D-glucose,alpha-D-Glcp-(1->6)-alpha-D-Glcp-(1->4)-D-Glcp,alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose,CHEBI:7912,SCHEMBL119324,EINECS 251-500-2,MFCD00151376,ZINC64622557,Q3362418,W-202363,WURCS=2.0/2,3,2/[o2122h][a2122h-1a_1-5]/1-2-2/a4-b1_b6-c1,(2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexanal
Identifiers / External links
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CAS: 33401-87-5
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PubChem CID: 94448
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ChemSpiderID: 85233
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ChEMBL: CHEMBL119324
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US FDA (UNII): UNII-DB2AF4EE2D
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Wikidata (wiki): Q3362418
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Chemical Entities of Biological Interest (CHEBI): CHEBI:7912
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SCHEMBL: SCHEMBL119324
Structure
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Smiles: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O)O)O)O
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Isomeric smiles: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O
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Inchi: InChI=1S/C18H32O16/c19-1-5(22)9(24)16(6(23)2-20)34-18-15(30)13(28)11(26)8(33-18)4-31-17-14(29)12(27)10(25)7(3-21)32-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12-,13-,14+,15+,16+,17-,18+/m0/s1
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Inchikey: ZCLAHGAZPPEVDX-MQHGYYCBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H32O16
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Molecular weight: 504.40
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Monoisotopic mass: 504.16903493
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Fungi
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Fungi id Species 176 Aspergillus niger