L-erythro-7,8-dihydrobiopterin (CHEBI:43029)

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CHEBI:43029 - L-erythro-7,8-dihydrobiopterin

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ChEBI Name	*L-erythro-7,8-dihydrobiopterin*

ChEBI ID	CHEBI:43029

ChEBI ASCII Name	L-erythro-7,8-dihydrobiopterin

Definition	A 7,8-dihydrobiopterin in which the 1,2-dihydroxypropyl group has (1R,2S)-configuration; naturally occurring form.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:43025, CHEBI:43011

Supplier Information	eMolecules:5747833, ZINC000018181336

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

Marvin 02171214543D

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Marvin 02171214543D

30 31 0 0 0 0 999 V2000

-1.0520 0.2590 -2.8000 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.0860 0.0040 -4.8910 N 0 0 0 0 0 0 0 0 0 0 0 0

0.0180 0.0010 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0

1.2230 -0.2660 -2.9550 N 0 0 0 0 0 0 0 0 0 0 0 0

1.3570 -0.2820 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0

2.4340 -0.5220 -1.0920 O 0 0 0 0 0 0 0 0 0 0 0 0

0.2200 -0.0120 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.9900 0.2660 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.0990 0.5470 -0.6940 N 0 0 0 0 0 0 0 0 0 0 0 0

-2.1570 -0.0660 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.7830 -0.0250 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0

0.2800 -0.0210 0.5380 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.6520 0.0050 2.7640 C 0 0 1 0 0 0 0 0 0 0 0 0

-1.2620 -1.1610 3.3190 O 0 0 0 0 0 0 0 0 0 0 0 0

0.8280 0.0370 3.1450 C 0 0 1 0 0 0 0 0 0 0 0 0

1.4380 1.2040 2.5900 O 0 0 0 0 0 0 0 0 0 0 0 0

0.9620 0.0690 4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.9390 0.1940 -5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0

0.6920 -0.1830 -5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0

1.9920 -0.4490 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.4940 -1.0990 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.8510 0.4920 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.8100 1.1220 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.1470 0.8940 3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.7950 -1.9230 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0

1.3240 -0.8510 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0

0.9720 1.9660 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0

2.0170 0.0920 4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0

0.4670 0.9580 5.0590 H 0 0 0 0 0 0 0 0 0 0 0 0

0.4970 -0.8210 5.0930 H 0 0 0 0 0 0 0 0 0 0 0 0

1 3 2 0 0 0 0

1 8 1 0 0 0 0

2 3 1 0 0 0 0

2 18 1 0 0 0 0

2 19 1 0 0 0 0

3 4 1 0 0 0 0

4 5 1 0 0 0 0

4 20 1 0 0 0 0

5 6 2 0 0 0 0

5 7 1 0 0 0 0

7 8 2 0 0 0 0

7 12 1 0 0 0 0

8 9 1 0 0 0 0

9 10 1 0 0 0 0

9 23 1 0 0 0 0

10 11 1 0 0 0 0

10 21 1 0 0 0 0

10 22 1 0 0 0 0

11 12 2 0 0 0 0

11 13 1 0 0 0 0

13 14 1 0 0 0 0

13 15 1 0 0 0 0

13 24 1 0 0 0 0

14 25 1 0 0 0 0

15 16 1 0 0 0 0

15 17 1 0 0 0 0

15 26 1 0 0 0 0

16 27 1 0 0 0 0

17 28 1 0 0 0 0

17 29 1 0 0 0 0

17 30 1 0 0 0 0

M END): 19 ms

reading 30 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

30 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Formula

C9H13N5O3

Net Charge

Average Mass

239.23120

Monoisotopic Mass

239.10184

InChI

InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1

InChIKey

FEMXZDUTFRTWPE-DZSWIPIPSA-N

SMILES

C[C@H](O)[C@H](O)C1=Nc2c(NC1)[nH]c(N)nc2=O

ChEBI Ontology
Outgoing	L-erythro-7,8-dihydrobiopterin (CHEBI:43029) is a 7,8-dihydrobiopterin (CHEBI:64277) L-erythro-7,8-dihydrobiopterin (CHEBI:43029) is enantiomer of D-erythro-7,8-dihydrobiopterin (CHEBI:15375)

Incoming	D-erythro-7,8-dihydrobiopterin (CHEBI:15375) is enantiomer of L-erythro-7,8-dihydrobiopterin (CHEBI:43029)

IUPAC Name

2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(3H)-one

Synonyms	Sources
7,8-DIHYDROBIOPTERIN	PDBeChem
Dihydrobiopterin	ChemIDplus
L-erythro-7,8-dihydrobiopterin	UniProt
L-erythro-q-Dihydrobiopterin	ChemIDplus
q-BH2	ChemIDplus
Quinonoid dihydrobiopterin	ChemIDplus

Manual Xref	Database
HBI	PDBeChem
View more database links

Registry Numbers	Types	Sources
6779-87-9	CAS Registry Number	ChemIDplus
9715232	Reaxys Registry Number	Reaxys

Last Modified

27 March 2012

CHEBI:43029 - L-erythro-7,8-dihydrobiopterin

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