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2-{[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

AlkaPlorer ID: AK003268

Synonym: None

IUPAC Name: (2R,3R,4S,5S,6R)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structure

SMILES: CC1=NC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)=C1O

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InChI: InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3/t9-,11-,12+,13-,14-/m1/s1

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InChIKey: MDLTWTOQCHCLSZ-RGCYKPLRSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pisum sativum Pisum Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 331.3210000000001

TPSA？: 152.73

MolLogP？: -2.09558

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015304 Cc1ncc(CO)c(CO)c1O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>Cc1ncc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CO)c1O 2.4.1.160-RXN
AKRT015305 Cc1ncc(CO)c(CO)c1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>Cc1ncc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CO)c1O MNXR131830
AKRT015380 Cc1ncc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CO)c1O>>Cc1ncc(CO)c(CO)c1O enzymemap_63029
AKRT015381 Cc1ncc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CO)c1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_63029