Search MNXref
 Feedback

queuine

PropertiesImage
MNX_IDMNXM1104274 Image of MNXM1104274
referencechebi:17433
formulaC12H15N5O3
global charge0
mol weight277.284
InChIKeyWYROLENTHWJFLR-ACLDMZEESA-N
InChIInChI=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
SMILESNC1=NC2=C(C(=O)N1)C(CN[C@H]1C=C[C@H](O)[C@@H]1O)=CN2
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 Image of MNXM1104274
SMILES (mnx)[CH:1]1=[CH:2][C@H:7]([OH:18])[C@H:9]([OH:19])[C@H:6]1[NH:14][CH2:3][C:5]1=[CH:4][NH:15][C:10]2=[C:8]1[C:11]([OH:20])=[N:17][C:12](=[NH:13])[NH:16]2
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
IdentifierDescription

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
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