4-phospho-D-erythronic acid (CHEBI:49003)

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CHEBI:49003 - 4-phospho-D-erythronic acid

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ChEBI Name	4-phospho-D-erythronic acid

ChEBI ID	CHEBI:49003

ChEBI ASCII Name	4-phospho-D-erythronic acid

Definition	The D-enantiomer of 4-phosphoerythronic acid.

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

Secondary ChEBI IDs	CHEBI:41926, CHEBI:1924

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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Marvin 04130817143D

22 21 0 0 0 0 999 V2000

3.3039 -1.8217 0.1091 O 0 0 0 0 0 0 0 0 0 0 0 0

2.1274 -2.0138 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0

1.5797 -3.2010 0.2128 O 0 0 0 0 0 0 0 0 0 0 0 0

1.2757 -0.9206 -0.6842 C 0 0 2 0 0 0 0 0 0 0 0 0

2.1012 0.1937 -1.0267 O 0 0 0 0 0 0 0 0 0 0 0 0

0.2250 -0.4824 0.3381 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.5998 -1.5973 0.6806 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.6393 0.6269 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.5429 1.1173 0.7298 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.4171 2.2756 0.0319 P 0 0 1 0 0 0 0 0 0 0 0 0

-1.5133 3.2945 -0.5454 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.3215 1.6359 -1.1371 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.3708 2.9642 1.1313 O 0 0 0 0 0 0 0 0 0 0 0 0

2.1271 -3.9025 0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0

0.7782 -1.2931 -1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0

2.5230 0.4922 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0

0.7234 -0.1103 1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0213 -1.8956 -0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0004 1.4407 -0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.2057 0.2301 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.8944 0.9786 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.8751 3.6507 0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 2 0 0 0 0

2 3 1 0 0 0 0

2 4 1 0 0 0 0

3 14 1 0 0 0 0

4 5 1 0 0 0 0

4 6 1 0 0 0 0

4 15 1 0 0 0 0

5 16 1 0 0 0 0

6 7 1 0 0 0 0

6 8 1 0 0 0 0

6 17 1 0 0 0 0

7 18 1 0 0 0 0

8 9 1 0 0 0 0

8 19 1 0 0 0 0

8 20 1 0 0 0 0

9 10 1 0 0 0 0

10 11 2 0 0 0 0

10 12 1 0 0 0 0

10 13 1 0 0 0 0

12 21 1 0 0 0 0

13 22 1 0 0 0 0

M END): 17 ms

reading 22 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

22 atoms created

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

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Molfile expand

Formula

C4H9O8P

Net Charge

Average Mass

216.08322

Monoisotopic Mass

216.00350

InChI

InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1

InChIKey

ZCZXOHUILRHRQJ-PWNYCUMCSA-N

SMILES

O[C@H](COP(O)(O)=O)[C@@H](O)C(O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	4-phospho-D-erythronic acid (CHEBI:49003) has functional parent D-erythronic acid (CHEBI:37655) 4-phospho-D-erythronic acid (CHEBI:49003) has role Escherichia coli metabolite (CHEBI:76971) 4-phospho-D-erythronic acid (CHEBI:49003) has role mouse metabolite (CHEBI:75771) 4-phospho-D-erythronic acid (CHEBI:49003) is a 4-phosphoerythronic acid (CHEBI:49055) 4-phospho-D-erythronic acid (CHEBI:49003) is conjugate acid of 4-O-phosphonato-D-erythronate(3−) (CHEBI:58766) 4-phospho-D-erythronic acid (CHEBI:49003) is enantiomer of 4-phospho-L-erythronic acid (CHEBI:49056)

Incoming	4-O-phosphonato-D-erythronate(3−) (CHEBI:58766) is conjugate base of 4-phospho-D-erythronic acid (CHEBI:49003) 4-phospho-L-erythronic acid (CHEBI:49056) is enantiomer of 4-phospho-D-erythronic acid (CHEBI:49003)

IUPAC Names

(2R,3R)-2,3-dihydroxy-4-(phosphonooxy)butanoic acid

4-O-phosphono-D-erythronic acid

Synonyms	Sources
4-Phospho-D-erythronate	KEGG COMPOUND
4-PHOSPHO-D-ERYTHRONATE	PDBeChem
4-Phosphoerythronate	KEGG COMPOUND

Manual Xrefs	Databases
C03393	KEGG COMPOUND
DB03108	DrugBank
DEZ	PDBeChem
View more database links

Registry Number	Type	Source
1878433	Beilstein Registry Number	Beilstein

Last Modified

27 January 2016

CHEBI:49003 - 4-phospho-D-erythronic acid

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