beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc (CHEBI:132805)

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CHEBI:132805 - β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-D-GlcpNAc

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ChEBI ID	CHEBI:132805
ChEBI Name	β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-D-GlcpNAc
Stars
ASCII Name	beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc
Definition	An amino disaccharide consisting of N-acetyl-D-glucosamine having a 4-deoxy-α-L-threo-hex-4-enopyranuronosyl residue attached at the 3-position.
Last Modified	25 July 2016
Submitter	Steve
Downloads	Molfile

Formula	C14H21NO11
Net Charge	0
Average Mass	379.318
Monoisotopic Mass	379.11146
SMILES	CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O
InChI	InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10+,11+,13?,14-/m0/s1
InChIKey	DLGJWSVWTWEWBJ-ZDLRKIOHSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-D-GlcpNAc (CHEBI:132805) is a amino disaccharide (CHEBI:22480)
	β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-D-GlcpNAc (CHEBI:132805) is a carbohydrate acid derivative (CHEBI:63436)
	β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-D-GlcpNAc (CHEBI:132805) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
Incoming Relation(s)
	3-(4-deoxy-β-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine (CHEBI:16126) is a β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-D-GlcpNAc (CHEBI:132805)

Synonyms	Source
3-(4-deoxy-β-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine	ChEBI
4-deoxy-β-D-gluc-4-enuronosyl-(1→3)-N-acetyl-D-glucosamine	MetaCyc
β-D-4-deoxy-Δ⁴-GlcA-(1→3)-D-GlcNAc	ChEBI

Manual Xrefs	Databases
CPD-13473	MetaCyc

Registry Numbers	Sources
Reaxys:20537829	Reaxys