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alpha-D-GlcNAc6S-(1->4)-D-GlcA

PropertiesImage
MNX_IDMNXM102521 Image of MNXM102521
referencechebi:65142
formulaC14H23NO15S
global charge0
mol weight477.397
InChIKeyNQEVMSRGYQJUGR-QKJYSWECSA-N
InChIInChI=1S/C14H23NO15S/c1-3(16)15-5-7(18)6(17)4(2-27-31(24,25)26)28-14(5)30-10-8(19)9(20)13(23)29-11(10)12(21)22/h4-11,13-14,17-20,23H,2H2,1H3,(H,15,16)(H,21,22)(H,24,25,26)/t4-,5-,6-,7-,8-,9-,10+,11+,13?,14-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C14H23NO15S/c1-3(16)15-5-7(18)6(17)4(2-27-31(24,25)26)28-14(5)30-10-8(19)9(20)13(23)29-11(10)12(21)22/h4-11,13-14,17-20,23H,2H2,1H3,(H,15,16)(H,21,22)(H,24,25,26)/t4-,5-,6-,7-,8-,9-,10+,11+,13?,14-/m1/s1 Image of MNXM102521
SMILES (mnx)[CH3:1][C:3](=[N:15][C@@H:5]1[C@@H:7]([OH:18])[C@H:6]([OH:17])[C@@H:4]([CH2:2][O:27][S:31]([OH:24])(=[O:25])=[O:26])[O:28][C@@H:14]1[O:30][C@H:10]1[C@H:8]([OH:19])[C@@H:9]([OH:20])[CH:13]([OH:23])[O:29][C@@H:11]1[C:12](=[O:21])[OH:22])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65142
chebi:65142
NQEVMSRGYQJUGR-QKJYSWECSA-N 		alpha-D-GlcNAc6S-(1->4)-D-GlcA
(GlcA)1 (GlcNAc)1 (S)1
2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranosyl-(1->4)-D-glucopyranuronic acid
4-O-(2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranosyl)-D-glucopyranuronic acid
6-O-sulfo-N-acetyl-alpha-D-glucosaminyl-(1->4)-D-glucuronic acid
alpha-D-GlcpNAc6S-(1->4)-D-GlcpA

seed.compound:cpd21663
seedM:cpd21663 		(GlcA)1(GlcNAc)1(S)1

seedM:M_cpd21663 		secondary/obsolete/fantasy identifier