alpha-D-galacturonic acid (CHEBI:33885)

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CHEBI:33885 - α-D-galacturonic acid

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ChEBI Name	α-D-galacturonic acid

ChEBI ID	CHEBI:33885

ChEBI ASCII Name	alpha-D-galacturonic acid

Definition	The α-anomer of D-galacturonic acid.

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

Secondary ChEBI IDs	CHEBI:40543, CHEBI:33884, CHEBI:22384

Supplier Information	eMolecules:1972285, ZINC000004228259

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

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Marvin 12050714593D

23 23 0 0 1 0 999 V2000

1.6324 0.3269 -0.2774 C 0 0 1 0 0 0 0 0 0 0 0 0

0.5591 1.2281 -0.6187 O 0 0 0 0 0 0 0 0 0 0 0 0

1.2347 -0.6930 0.8248 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.1521 -1.3301 0.5431 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.7231 0.6518 -0.9560 C 0 0 1 0 0 0 0 0 0 0 0 0

-1.2236 -0.2604 0.2014 C 0 0 2 0 0 0 0 0 0 0 0 0

2.1288 -0.3232 -1.4453 O 0 0 0 0 0 0 0 0 0 0 0 0

2.2166 -1.7214 0.9523 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.5955 -2.1104 1.6525 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.5215 0.5267 1.3583 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.6828 1.7005 -1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.6382 2.7774 -0.6659 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.5939 1.5210 -2.0461 O 0 0 0 0 0 0 0 0 0 0 0 0

2.4483 0.9470 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0

1.1922 -0.1669 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0608 -2.0147 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.5962 0.0473 -1.8623 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.1458 -0.7678 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0

2.4731 0.3982 -2.0132 H 0 0 0 0 0 0 0 0 0 0 0 0

3.0674 -1.2611 1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0

0.1028 -2.7813 1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.8799 -0.0961 2.0238 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.2421 3.4013 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0

1 7 1 0 0 0 0

1 2 1 0 0 0 0

1 3 1 0 0 0 0

3 8 1 0 0 0 0

3 4 1 0 0 0 0

4 9 1 0 0 0 0

2 5 1 0 0 0 0

5 11 1 0 0 0 0

4 6 1 0 0 0 0

5 6 1 0 0 0 0

6 10 1 0 0 0 0

12 11 1 0 0 0 0

13 11 2 0 0 0 0

1 14 1 0 0 0 0

3 15 1 0 0 0 0

4 16 1 0 0 0 0

5 17 1 0 0 0 0

6 18 1 0 0 0 0

7 19 1 0 0 0 0

8 20 1 0 0 0 0

9 21 1 0 0 0 0

10 22 1 0 0 0 0

12 23 1 0 0 0 0

M END): 21 ms

reading 23 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

23 atoms created

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

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Molfile expand

Formula

C6H10O7

Net Charge

Average Mass

194.13940

Monoisotopic Mass

194.04265

InChI

InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1

InChIKey

AEMOLEFTQBMNLQ-BKBMJHBISA-N

SMILES

O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	algal metabolite Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae. (via galacturonic acid ) plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via galacturonic acid )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	α-D-galacturonic acid (CHEBI:33885) is a D-galactopyranuronic acid (CHEBI:4153) α-D-galacturonic acid (CHEBI:33885) is conjugate acid of α-D-galacturonate (CHEBI:58658)

Incoming	1-phospho-α-D-galacturonic acid (CHEBI:17543) has functional parent α-D-galacturonic acid (CHEBI:33885) UDP-α-D-galacturonic acid (CHEBI:16085) has functional parent α-D-galacturonic acid (CHEBI:33885) UDP-D-galacturonic acid (CHEBI:13488) has functional parent α-D-galacturonic acid (CHEBI:33885) α-D-galacturonate (CHEBI:58658) is conjugate base of α-D-galacturonic acid (CHEBI:33885)

IUPAC Name

α-D-galactopyranuronic acid

Manual Xref	Database
ADA	PDBeChem
View more database links

Registry Numbers	Types	Sources
1221534	Gmelin Registry Number	Gmelin
1285547	Reaxys Registry Number	Reaxys

Last Modified

08 July 2014

CHEBI:33885 - α-D-galacturonic acid

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