Molecule

6,7-dihydrobiopterin

AlkaPlorer ID: AK102797

Synonym: 'quinoid-dihydrobiopterin', '6,7-Dihydrobiopterin', 'Quinoid-dihydrobiopterin', 'q-dihydrobiopterin', '6,7-dihydrobiopterin', 'Dihydrobiopterin'

IUPAC Name: (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6,7-dihydro-3H-pteridin-4-one

Structure

SMILES: C[C@H](O)[C@H](O)[C@H]1CN=C2NC(N)=NC(=O)C2=N1

InChI: 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

InChIKey: ZHQJVZLJDXWFFX-RPDRRWSUSA-N

Reference

PubChem CID: 135398653

CAS: 79647-29-3

NPASS: NPC181350

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alpinia blepharocalyx	Alpinia	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mallotus philippensis	Mallotus	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Malus pumila	Malus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Acacia arabica	Acacia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium cepa	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 239.235

TPSA？: 136.95

MolLogP？: -3.284799999999998

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT006619	CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1>>C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)C2=N1	MNXR138239
AKRT013950	C[C@H](O)[C@H](O)[C@H]1CN=c2[nH]c(=N)[nH]c(=O)c2=N1>>C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(=N)[nH]c(=O)c2N1	enzymemap_23093
AKRT013951	C[C@H](O)[C@H](O)[C@H]1CN=c2nc(N)[nH]c(=O)c2=N1>>C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1	enzymemap_23093
AKRT013952	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)C2=N1>>C[C@H](O)[C@H](O)C1=Nc2c([nH]c(N)nc2=O)NC1	RXN-21000
AKRT013953	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)C2=N1>>C[C@H](O)[C@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1	R11767
AKRT013954	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)C2=N1>>C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1	RXN-14245
AKRT013957	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1>>C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)C2=N1	R04734
AKRT013960	C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(=N)[nH]c(=O)c2N1>>C[C@H](O)[C@H](O)[C@H]1CN=c2[nH]c(=N)[nH]c(=O)c2=N1	enzymemap_23107
AKRT013962	C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1>>C[C@H](O)[C@H](O)[C@H]1CN=c2nc(N)[nH]c(=O)c2=N1	enzymemap_23107
AKRT013963	C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1>>C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)C2=N1	R01795