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dermatan sulfate

MNXM49149 is deprecated and here replaced by MNXM737208
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737208 Image of MNXM737208
referencechebi:18376
formulaC14H23NO15S
global charge0
mol weight477.397
InChIKeyAVJBPWGFOQAPRH-FWMKGIEWSA-N
InChIInChI=1S/C14H23NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(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]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OS(=O)(=O)O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C14H23NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6+,7+,8-,9+,10-,11-,13-,14-/m1/s1 Image of MNXM737208
SMILES (mnx)[CH3:1][C:3](=[N:15][C@@H:5]1[C@@H:10]([O:28][C@H:14]2[C@H:8]([OH:20])[C@@H:6]([OH:18])[C@H:7]([OH:19])[C@H:11]([C:12](=[O:21])[OH:22])[O:29]2)[C@@H:9]([O:30][S:31]([OH:24])(=[O:25])=[O:26])[C@@H:4]([CH2:2][OH:16])[O:27][C@H:13]1[OH:23])[OH:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18376
chebi:18376
AVJBPWGFOQAPRH-FWMKGIEWSA-N 		dermatan sulfate
Chondroitin sulfate B
Dermatan L-iduronate
beta-Heparin
hmdb:HMDB0000632
AVJBPWGFOQAPRH-FWMKGIEWSA-N 		Dermatan sulfate
(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulphooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulphooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Chondroitin
Chondroitin sulfate b
Chondroitin sulfate type b
Chondroitin sulphate b
Chondroitin sulphate type b
Chondroitin-D-glucuronate
Chondroitinsulfuric acid b
Chondroitinsulfuric acid type b
Chondroitinsulphuric acid b
Chondroitinsulphuric acid type b
Dermatan 4-sulfate
Dermatan 4-sulphate
Dermatan L-iduronate
Dermatan hydrogen sulfate
Dermatan hydrogen sulphate
Dermatan sulfuric acid
Dermatan sulphate
Dermatan sulphuric acid
Dermatan surfate
IdoA(a1-3)b-galnac4S
Sulfate b, chondroitin
Sulfate, dermatan
WURCS=2.0/2,2,1/[a2112h-1b_1-5_2*ncc/3=o_4*oso/3=o/3=o][a2121a-1a_1-5]/1-2/a3-b1
b-Heparin
beta Heparin
beta-Heparin
beta-heparin

CHEBI:58465
chebi:58465
AVJBPWGFOQAPRH-FWMKGIEWSA-L 		dermatan 4'-sulfate
dermatan sulfate polyanion

hmdb:HMDB0006265
hmdb:HMDB00632
hmdb:HMDB06265
chebi:14127
chebi:23644
chebi:4440 		secondary/obsolete/fantasy identifier