tetrahydrobiopterin

• tetrahydrobiopterin
• bmse000911 - data

InCHi String:
InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1

canonical SMILES:
CC(C(C1CNC2=C(N1)C(=O)N=C(N2)N)O)O
isomeric SMILES:
C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)N=C(N2)N)O)O


PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one

PUBCHEM iupac SYSTEMATIC NAME
(6R)-2-azanyl-6-[(1R,2S)-1,2-bis(oxidanyl)propyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one



PubChem Substance (SID):   144080912   93581510   58712668
PubChem Compound (CID):   44257
KEGG: Compound ID   D08505
CAS Registry IDs:   27070-47-9   17528-72-2   62989-33-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 69056-38-8   MMCD cq_10789   MDL number MFCD00891665   ChEBI CHEBI:59560   EPA DSSTox 47648   ZINC ZINC13585233   ChemIDplus 027070479   ChEMBL CHEMBL1201774   SMID THB