EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168788 - O2'-4a-cyclic-tetrahydrobiopterin

ChEBI IDCHEBI:168788
ChEBI NameO2'-4a-cyclic-tetrahydrobiopterin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H13N5O3
Net Charge0
Average Mass239.235
Monoisotopic Mass239.10184
SMILESC[C@H]1OC23NC(CN=C2N=C(N)NC3=O)[C@H]1O
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
InChIKeyJZTDUNXDDUJXRZ-UPYOWCHBSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
O2'-4a-cyclic-tetrahydrobiopterin (CHEBI:168788) is a pterins (CHEBI:26375)
IUPAC Name 
(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
Manual XrefsDatabases
35032562ChemSpider
HMDB0013031HMDB