Sepiapterin

enlarge

Systematic / IUPAC Name: 2-Amino-6-lactoyl-7,8-dihydro-4(1H)-pteridinone

ID: Reference596

Other Names: Sepiapterine;
(S)-2-Amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(3H)-one;
2-Amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-1H-pteridin-4-one;
2-Amino-7,8-dihydro-6-[(2S)-2-hydroxy-1-oxopropyl]-4(1H)pteridinone;
4(1H)-Pteridinone, 2-amino-7,8-dihydro-6-(2-hydroxy-1-oxopropyl)-, (S)-

Formula: C9H11N5O3

Class: Endogenous Metabolites

Spectral Data

Sepiapterin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 399
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/12/2016 6:51:06 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1
InChI Key VPVOXUSPXFPWBN-VKHMYHEASA-N
Canonical SMILES O=C1\N=C(/NC=2NCC(=N/C1=2)\C(=O)C(O)C)N
CAS 17094018
Splash
Other Names Sepiapterine;
(S)-2-Amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(3H)-one;
2-Amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-1H-pteridin-4-one;
2-Amino-7,8-dihydro-6-[(2S)-2-hydroxy-1-oxopropyl]-4(1H)pteridinone;
4(1H)-Pteridinone, 2-amino-7,8-dihydro-6-(2-hydroxy-1-oxopropyl)-, (S)-;
6-[(2S)-2-Hydroxypropanoyl]-2-amino-3,7,8-trihydropteridin-4-one

In Other Databases

HMDb HMDB00238
PubChem 65253
Wikipedia Sepiapterin
ChEMBL CHEMBL1255653
ChemIDPlus 017094018
ChemSpider 5011
KEGG C00835