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(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxyoxane-2-carboxylic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM1116183

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₂H₂₁NO₁₇S₂

charge

mass

515.02509

reference

chebi:151538

InChIKey

WLFJZMYYKJMMJM-UVTRRXGKSA-N

InChI

InChI=1S/C12H21NO17S2/c14-1-2-7(28-12-6(17)4(15)5(16)9(29-12)10(18)19)8(30-32(24,25)26)3(11(20)27-2)13-31(21,22)23/h2-9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4+,5+,6-,7-,8-,9-,11+,12-/m1/s1

SMILES

O=C(O)[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](NS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:151538 chebi:151538	(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxyoxane-2-carboxylic acid IdoA(a1-4)a-GlcNS3S WURCS=2.0/2,2,1/[a2122h-1a_1-5_2NSO/3=O/3=O_3OSO/3=O/3=O][a2121A-1a_1-5]/1-2/a4-b1 alpha-L-ido-hexopyranosyluronic acid-(1->4)-2-deoxy-3-O-sulfo-2-sulfoamino-alpha-D-gluco-hexopyranose
CHEBI:152805 chebi:152805	(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R)-6-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxyoxane-2-carboxylic acid IdoA(a1-4)GlcNS3S WURCS=2.0/2,2,1/[a2122h-1x_1-5_2NSO/3=O/3=O_3OSO/3=O/3=O][a2121A-1a_1-5]/1-2/a4-b1 alpha-L-ido-hexopyranosyluronic acid-(1->4)-2-deoxy-3-O-sulfo-2-sulfoamino-D-gluco-hexopyranose