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O2'-4a-cyclic-tetrahydrobiopterin

PropertiesImage
MNX_IDMNXM65212 Image of MNXM65212
referencechebi:168788
formulaC9H13N5O3
global charge0
mol weight239.235
InChIKeyJZTDUNXDDUJXRZ-UPYOWCHBSA-N
InChIInChI=1S/C9H13N5O3/c1-3-5(15)4-2-11-6-9(14-4,17-3)7(16)13-8(10)12-6/h3-5,14-15H,2H2,1H3,(H3,10,11,12,13,16)/t3-,4?,5+,9?/m1/s1
SMILESC[C@H]1OC23NC(CN=C2N=C(N)NC3=O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C9H13N5O3/c1-3-5(15)4-2-11-6-9(14-4,17-3)7(16)13-8(10)12-6/h3-5,14-15H,2H2,1H3,(H3,10,11,12,13,16)/t3-,4?,5+,9?/m1/s1 Image of MNXM65212
SMILES (mnx)[CH3:1][C@@H:3]1[C@H:5]([OH:15])[CH:4]2[CH2:2][N:11]=[C:6]3[C:9]([C:7]([OH:16])=[N:13][C:8](=[NH:10])[NH:12]3)([NH:14]2)[O:17]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:168788
chebi:168788
JZTDUNXDDUJXRZ-UPYOWCHBSA-N 		O2'-4a-cyclic-tetrahydrobiopterin
(10R,11R)-4-amino-10-hydroxy-11-methyl-12-oxa-3,5,7,13-tetrazatricyclo[7.3.1.01,6]trideca-4,6-dien-2-one

bigg.metabolite:CE5236
biggM:CE5236
JZTDUNXDDUJXRZ-UPYOWCHBSA-N 		O2'-4a-cyclic-tetrahydrobiopterin
hmdb:HMDB0013031
JZTDUNXDDUJXRZ-UPYOWCHBSA-N 		O2'-4a-cyclic-tetrahydrobiopterin
(10R,11R)-4-amino-10-hydroxy-11-methyl-12-oxa-3,5,7,13-tetraazatricyclo[7.3.1.0^{1,6}]trideca-3,5-dien-2-one
4a-Cyc-BH(,4)
4a-Cyclic-tetrahydrobiopterin

vmhM:CE5236
vmhmetabolite:CE5236
JZTDUNXDDUJXRZ-UPYOWCHBSA-N 		O2-4a-cyclic-tetrahydrobiopterin
(10R,11R)-4-amino-10-hydroxy-11-methyl-12-oxa-3,5,7,13-tetraazatricyclo[7.3.1.0^{1,6}]trideca-3,5-dien-2-one

hmdb:HMDB13031
biggM:M_CE5236
vmhM:M_CE5236 		secondary/obsolete/fantasy identifier