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beta-L-IdoA2S-(1->4)-alpha-D-GlcNAc3S-(1->4)-beta-D-GlcA(1->3)-beta-D-Gal(1->3)-beta-D-Gal(1->4)-D-Xyl

MNXM722888 is deprecated and here replaced by MNXM1372030
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372030 Image of MNXM1372030
referencehmdb:HMDB0062475
formulaC37H59NO38S2
global charge0
mol weight1189.982
InChIKeyYDHDIXKWBIZOGD-QHRWLTKVSA-N
InChIInChI=1S/C37H59NO38S2/c1-6(42)38-11-23(75-77(58,59)60)22(69-37-28(76-78(61,62)63)16(47)15(46)27(73-37)30(53)54)9(4-41)67-33(11)72-26-17(48)19(50)34(74-29(26)31(55)56)70-25-14(45)8(3-40)66-36(21(25)52)71-24-13(44)7(2-39)65-35(20(24)51)68-10-5-64-32(57)18(49)12(10)43/h7-29,32-37,39-41,43-52,57H,2-5H2,1H3,(H,38,42)(H,53,54)(H,55,56)(H,58,59,60)(H,61,62,63)/t7-,8-,9-,10-,11-,12+,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29+,32?,33-,34-,35+,36+,37+/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5COC(O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O
MNX internals
InChI (mnx)InChI=1/C37H59NO38S2/c1-6(42)38-11-23(75-77(58,59)60)22(69-37-28(76-78(61,62)63)16(47)15(46)27(73-37)30(53)54)9(4-41)67-33(11)72-26-17(48)19(50)34(74-29(26)31(55)56)70-25-14(45)8(3-40)66-36(21(25)52)71-24-13(44)7(2-39)65-35(20(24)51)68-10-5-64-32(57)18(49)12(10)43/h7-29,32-37,39-41,43-52,57H,2-5H2,1H3,(H,38,42)(H,53,54)(H,55,56)(H,58,59,60)(H,61,62,63)/t7-,8-,9-,10-,11-,12+,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29+,32?,33-,34-,35+,36+,37+/m1/s1 Image of MNXM1372030
SMILES (mnx)[CH3:1][C:6](=[N:38][C@@H:11]1[C@@H:23]([O:75][S:77]([OH:58])(=[O:59])=[O:60])[C@H:22]([O:69][C@@H:37]2[C@H:28]([O:76][S:78]([OH:61])(=[O:62])=[O:63])[C@@H:16]([OH:47])[C@H:15]([OH:46])[C@H:27]([C:30](=[O:53])[OH:54])[O:73]2)[C@@H:9]([CH2:4][OH:41])[O:67][C@@H:33]1[O:72][C@H:26]1[C@H:17]([OH:48])[C@@H:19]([OH:50])[C@H:34]([O:70][C@H:25]2[C@@H:14]([OH:45])[C@@H:8]([CH2:3][OH:40])[O:66][C@@H:36]([O:71][C@H:24]3[C@@H:13]([OH:44])[C@@H:7]([CH2:2][OH:39])[O:65][C@@H:35]([O:68][C@@H:10]4[CH2:5][O:64][CH:32]([OH:57])[C@H:18]([OH:49])[C@H:12]4[OH:43])[C@@H:20]3[OH:51])[C@@H:21]2[OH:52])[O:74][C@@H:29]1[C:31](=[O:55])[OH:56])[OH:42]
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
hmdb:HMDB0062475
YDHDIXKWBIZOGD-QHRWLTKVSA-N 		beta-L-IdoA2S-(1->4)-alpha-D-GlcNAc3S-(1->4)-beta-D-GlcA(1->3)-beta-D-Gal(1->3)-beta-D-Gal(1->4)-D-Xyl
(2R,3S,4S,5R,6S)-6-{[(2R,3R,4R,5R,6R)-6-{[(2S,3S,4R,5R,6R)-2-carboxy-6-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-5-acetamido-2-(hydroxymethyl)-4-(sulfooxy)oxan-3-yl]oxy}-3,4-dihydroxy-5-(sulfooxy)oxane-2-carboxylic acid
2-O-Sulfo-beta-D-idopyranuronosyl-(1->4)-2-acetamido-2-deoxy-3-O-sulfo-alpha-D-glucopyranosyl-(1->4)-beta-D-(glucopyranosyluronic acid)-(1->3)-beta-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-xylopyranose
IdoA(2S)-GalNAc(3S)-GlcA-Gal-Gal-Xyl
IdoA2S(beta1-4)GlcNAc3S(alpha1-4)GlcA(beta1-3)Gal(beta1-3)Gal(beta1-4)Xyl
IdoA2S-beta-1,4-GlcNAc3S-alpha-1,4-GlcA-beta-1,3-Gal-beta-1,3-Gal-beta-1,4-Xylose
IdopA2S(beta1-4)GlcpNAc3S(alpha1-4)GlcpA(beta1-3)Galp(beta1-3)Galp(beta1-4)Xylp
beta-L-IdoA2S-(1->4)-alpha-D-GlcNAc3S-(1->4)-beta-D-GlcA(1->3)-beta-D-Gal(1->3)-beta-D-Gal(1->4)-D-Xylp

hmdb:HMDB62475 		secondary/obsolete/fantasy identifier