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7,8-didemethyl-8-hydroxy-5-deazariboflavin

PropertiesImage
MNX_IDMNXM1364187 Image of MNXM1364187
referencechebi:43034
formulaC16H17N3O7
global charge0
mol weight363.326
InChIKeyAUEILLWDYUBWCM-XQQFMLRXSA-N
InChIInChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1
SMILESO=C1N=C2C(=CC3=CC=C(O)C=C3N2C[C@H](O)[C@H](O)[C@H](O)CO)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1 Image of MNXM1364187
SMILES (mnx)[CH:1]1=[CH:2][C:8]([OH:21])=[CH:4][C:10]2=[C:7]1[CH:3]=[C:9]1[C:14](=[N:17][C:16](=[O:26])[N:18]=[C:15]1[OH:25])[N:19]2[CH2:5][C@@H:11]([C@@H:13]([C@@H:12]([CH2:6][OH:20])[OH:23])[OH:24])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:43034
chebi:43034
AUEILLWDYUBWCM-XQQFMLRXSA-N 		7,8-didemethyl-8-hydroxy-5-deazariboflavin
1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol
8-HDF
8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE
8-hydroxy-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
8-hydroxy-5-deazaflavin
FO

sabiork.compound:28914
sabiorkM:28914
kegg.compound:C19154
keggC:C19154
AUEILLWDYUBWCM-XQQFMLRXSA-N 		7,8-Didemethyl-8-hydroxy-5-deazariboflavin

seed.compound:cpd15839
seedM:cpd15839
AUEILLWDYUBWCM-XQQFMLRXSA-N 		7,8-didemethyl-8-hydroxy-5-deazariboflavin
7,8-Didemethyl-8-hydroxy-5-deazariboflavin
CF-I
FO
cosynthetic factor I
ddhrb

chebi:37430
chebi:43031
chebi:49604
keggC:M_C19154
seedM:M_cpd15839 		secondary/obsolete/fantasy identifier