Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:58:20 UTC
Update Date2024-10-13 14:10:22 UTC
Metabolite IDMMDBc0032005
Metabolite Identification
Common Name4a-Carbinolamine tetrahydrobiopterin
DescriptionNULL
Structure
Synonyms
ValueSource
(6R)-2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-6H-pteridin-4-oneChEBI
(6R)-6-[(1R,2S)-1,2-Dihydroxypropyl]-7,8-dihydro-6H-pterinChEBI
6,7-DihydrobiopterinChEBI
Q-H2BPTChEBI
Quinoid-dihydrobiopterinChEBI
Quinonoid 6,7-dihydrobiopterinChEBI
6-[(1R,2S)-1,2-Dihydroxypropyl]-6,7-dihydropterinKegg
(6R)-6-(L-erythro-1,2-Dihydroxypropyl)-7,8-dihydro-6H-pterinKEGG
1,3,5-BenzenetriolHMDB
1,3,5-TrihydroxybenzeneHMDB
1,3,5-Trihydroxybenzene anhydrateHMDB
1,3,5-Trihydroxybenzene anhydrousHMDB
1,3,5-Trihydroxybenzene dihydrateHMDB
1.3.5-TrihydroxybenzeneHMDB
4a-Hydroxy-BH4HMDB
PhloroglucinHMDB
PhloroglucinolHMDB
Phloroglucinol 2-hydrateHMDB
Phloroglucinol anhydrousHMDB
Phloroglucinol dihydrateHMDB
4a-Carbinolamine tetrahydrobiopterinChEBI
Molecular FormulaC9H13N5O3
Average Mass239.2312
Monoisotopic Mass239.101839307
IUPAC Name(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-1,4,6,7-tetrahydropteridin-4-one
Traditional Name(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-1H-pteridin-4-one
CAS Registry NumberNot Available
SMILES
[H][C@@]1(CN=C2NC(N)=NC(=O)C2=N1)[C@@H](O)[C@H](C)O
InChI Identifier
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1
InChI KeyZHQJVZLJDXWFFX-RPDRRWSUSA-N