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HP_dp02_0002

Properties

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Occurences in reactions

MNX_ID

MNXM41426

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

formula

C₁₂H₂₁NO₁₇S₂

charge

mass

515.02509

reference

chebi:138717

InChIKey

TVXJTWZKUCFSCJ-PNRHKHKDSA-N

InChI

InChI=1S/C12H21NO17S2/c14-4-3(13-31(21,22)23)11(20)28-2(1-27-32(24,25)26)8(4)29-12-7(17)5(15)6(16)9(30-12)10(18)19/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](COS(=O)(=O)O)O[C@H](O)[C@H](NS(=O)(=O)O)[C@H]2O)[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:138717 chebi:138717	HP_dp02_0002 2-deoxy-4-O-alpha-L-idopyranuronosyl-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose WURCS=2.0/2,2,1/[a2122h-1a_1-5_2NSO/3=O/3=O_6OSO/3=O/3=O][a2121A-1a_1-5]/1-2/a4-b1 alpha-L-IdopA-(1-4)-alpha-D-GlcpNS(6S)
CHEBI:62818 chebi:62818	alpha-L-IdoUA-(1->4)-D-GlcNS(6S) 2-deoxy-4-O-alpha-L-idopyranuronosyl-6-O-sulfo-2-(sulfoamino)-D-glucopyranose IdoA-GlcNS6OS WURCS=2.0/2,2,1/[a2122h-1x_1-5_2NSO/3=O/3=O_6OSO/3=O/3=O][a2121A-1a_1-5]/1-2/a4-b1 alpha-L-idopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranose