Molecule

6,7-dimethyl-8-(1-D-ribityl)lumazine

AlkaPlorer ID: AK019209

Synonym: '', '6,7-dimethyl-8-(1-D-ribityl)lumazine', '6,7-dimethyl-8-(1-D-ribityl)lumazine(1-)', 'RL-6,7-diMe', 'DMDRL', '6,7-dimethyl-8-(D-ribityl)lumazine', '6,7-Dimethyl-8-ribityllumazine', '6,7-dimethyl-8-D-ribityllumazine', '6,7-dimethyl-2,4-dioxo-8-(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl-2,3,4,8-tetrahydropteridin-3-ide', '6,7-Dimethyl-8-(1-D-ribityl)lumazine', "6,7-Dimethyl-8-(1'-D-ribityl)lumazine"

IUPAC Name: 6,7-dimethyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4-dione

Structure

SMILES: CC1=C(C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)N=C(O)C2=N1

InChI: InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1

InChIKey: SXDXRJZUAJBNFL-XKSSXDPKSA-N

Reference

Isolation of some New Substances produced by Eremothecium ashbyii

PubChem CID: 168989

CAS: 5118-16-1

LOTUS: LTS0142205

NPASS: NPC319963

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Eremothecium ashbyi	Eremothecium	Saccharomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 326.3090000000001

TPSA？: 161.82

MolLogP？: -2.464459999999999

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002197	CC(=O)C(O)COP(=O)(O)O.Nc1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O>>Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C	R04457
AKRT004475	CC(=O)[C@H](O)COP(=O)(O)O.Nc1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O>>Cc1nc2c(=O)[n-]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C	MNXR179375
AKRT015271	Cc1nc2c(=O)[n-]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C.Cc1nc2c(=O)[n-]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C>>Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	RIBOFLAVIN-SYN-RXN
AKRT015272	Cc1nc2c(=O)[n-]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C>>Nc1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O	RIBOFLAVIN-SYN-RXN
AKRT015275	Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C.Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C>>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	R00066
AKRT015276	Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C>>Nc1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O	R00066