alpha-D-GalpA-(1->4)-alpha-D-GalpA-(1->4)-alpha-D-GalpA-(1->4)-alpha-D-GalpA (CHEBI:82692)

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CHEBI:82692 - α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA

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ChEBI ID	CHEBI:82692
ChEBI Name	α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA
Stars
ASCII Name	alpha-D-GalpA-(1->4)-alpha-D-GalpA-(1->4)-alpha-D-GalpA-(1->4)-alpha-D-GalpA
Definition	A tetraisaccharide in which four α-D-galactopyranuronic acid units are joined via (1→4)-linkages.
Last Modified	14 August 2014
Submitter	Steve
Downloads	Molfile

Formula	C24H34O25
Net Charge	0
Average Mass	722.511
Monoisotopic Mass	722.13892
SMILES	O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O
WURCS	WURCS=2.0/1,4,3/[a2112A-1a_1-5]/1-1-1-1/a4-b1_b4-c1_c4-d1
InChI	InChI=1S/C24H34O25/c25-1-2(26)13(17(34)35)47-22(7(1)31)45-11-4(28)9(33)24(49-15(11)19(38)39)46-12-5(29)8(32)23(48-16(12)20(40)41)44-10-3(27)6(30)21(42)43-14(10)18(36)37/h1-16,21-33,42H,(H,34,35)(H,36,37)(H,38,39)(H,40,41)/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10+,11+,12+,13-,14-,15-,16-,21-,22-,23-,24-/m0/s1
InChIKey	GOIKIOHGMNUNBL-XVJVAFNESA-N

Species of Metabolite	Component	Source	Comments
Clostridium cellulovorans (ncbitaxon:1493)	-	PubMed (16346602)

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA (CHEBI:82692) has role bacterial xenobiotic metabolite (CHEBI:76976)
	α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA (CHEBI:82692) is a carbohydrate acid (CHEBI:33720)
	α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA (CHEBI:82692) is a tetrasaccharide (CHEBI:50126)

IUPAC Name
α-D-galactopyranuronosyl-(1→4)-α-D-galactopyranuronosyl-(1→4)-α-D-galactopyranuronosyl-(1→4)-α-D-galactopyranuronic acid

Synonyms	Source
tetragalacturonic acid	ChEBI
pectin tetrasaccharide	ChEBI
α-D-GalA-(1→4)-α-D-GalA-(1→4)-α-D-GalA-(1→4)-α-D-GalA	ChEBI
α-D-galacturonosyl-(1→4)-α-D-galacturonosyl-(1→4)-α-D-galacturonosyl-(1→4)-α-D-galacturonic acid	ChEBI

Registry Numbers	Sources
Reaxys:1420317	Reaxys