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queuine

Properties Image MNX_ID MNXM1104274 reference chebi:17433 formula C12H15N5O3 global charge 0 mol weight 277.284 InChIKey WYROLENTHWJFLR-ACLDMZEESA-N InChI InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1 SMILES Nc1nc2[nH]cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c2c(=O)[nH]1 MNX internals InChI (mnx) InChI=1/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1 SMILES (mnx) [C:1]12=[C:2]([CH2:5][CH:7]=[C:3]1[CH2:8][CH2:12][N:14]1[N:15]([OH:18])[N:17]([OH:20])[O:19]=[N:16]1)[CH:6]=[C:11]([NH2:13])[CH2:9][C:4]2=[CH2:10]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 14 in models (compartimentalized) 2

Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-6782431 reactomeM:R-ALL-6782431 CHEBI:17433 chebi:17433 WYROLENTHWJFLR-ACLDMZEESA-N	queuine 2-amino-5-{[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-ylamino]methyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one 7-(3,4-trans-4,5-cis-dihydroxy-1-cyclopenten-3-ylaminomethyl)-7-deazaguanine Base Q Queuine
seed.compound:cpd01029 seedM:cpd01029 WYROLENTHWJFLR-ACLDMZEESA-N	Base Q 4H-pyrrolo(2,3-d)pyrimidin-4-one, 2-amino-5-((((1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-1,7-dihydro- 7-(3,4-trans-4,5-cis-dihydroxy-1-cyclopenten-3-ylaminomethyl)-7-deazaguanine Queuine base Q queuine
sabiork.compound:5587 sabiorkM:5587 WYROLENTHWJFLR-ACLDMZEESA-N	Queuine
hmdb:HMDB0001495 WYROLENTHWJFLR-ACLDMZEESA-N	Queuine 2-Amino-5-((((1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-1,7-dihydro-4H-pyrrolo(2,3-D)pyrimidin-4-one 5-({[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-2-imino-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one 5-({[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-2-imino-1H,3H,7H-pyrrolo[2,3-d]pyrimidin-4-one 7-(3,4-trans-4,5-cis-Dihydroxy-1-cyclopenten-3-ylaminomethyl)-7-deazaguanine Base Q
vmhM:M02820 vmhM:M02820 vmhmetabolite:M02820 vmhmetabolite:M02820 WYROLENTHWJFLR-ACLDMZEESA-N	Queuine 5-({[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-2-imino-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
kegg.compound:C01449 keggC:C01449 WYROLENTHWJFLR-ACLDMZEESA-N	Queuine Base Q
CHEBI:77674 chebi:77674 WYROLENTHWJFLR-ACLDMZEESA-O	queuine(1+) (1S,4S,5R)-N-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4,5-dihydroxycyclopent-2-en-1-aminium
metacyc.compound:QUEUINE metacycM:QUEUINE WYROLENTHWJFLR-ACLDMZEESA-O	queuine 7-(3,4-trans-4,5-cis-dihydroxy-1-cyclopenten-3-ylaminomethyl)-7-deazaguanine base Q
hmdb:HMDB01495 chebi:14998 chebi:26487 chebi:8709 keggC:M_C01449 seedM:M_cpd01029 vmhM:M_M02820	secondary/obsolete/fantasy identifier