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laminarihexaose

PropertiesImage
MNX_IDMNXM746743 Image of MNXM746743
referencechebi:142494
formulaC36H62O31
global charge0
mol weight990.861
InChIKeyIJPVERCOVSUXRV-SWOKYYHISA-N
InChIInChI=1S/C36H62O31/c37-1-7-13(43)19(49)20(50)32(58-7)64-27-15(45)9(3-39)60-34(22(27)52)66-29-17(47)11(5-41)62-36(24(29)54)67-30-18(48)12(6-42)61-35(25(30)55)65-28-16(46)10(4-40)59-33(23(28)53)63-26-14(44)8(2-38)57-31(56)21(26)51/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31?,32+,33+,34+,35+,36+/m1/s1
SMILESOC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)OC(O)[C@@H]6O)O[C@H](CO)[C@H]5O)O[C@H](CO)[C@H]4O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C36H62O31/c37-1-7-13(43)19(49)20(50)32(58-7)64-27-15(45)9(3-39)60-34(22(27)52)66-29-17(47)11(5-41)62-36(24(29)54)67-30-18(48)12(6-42)61-35(25(30)55)65-28-16(46)10(4-40)59-33(23(28)53)63-26-14(44)8(2-38)57-31(56)21(26)51/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31?,32+,33+,34+,35+,36+/m1/s1 Image of MNXM746743
SMILES (mnx)[CH2:1]([C@@H:7]1[C@@H:13]([OH:43])[C@H:19]([OH:49])[C@@H:20]([OH:50])[C@H:32]([O:64][C@H:27]2[C@H:15]([OH:45])[C@@H:9]([CH2:3][OH:39])[O:60][C@@H:34]([O:66][C@H:29]3[C@H:17]([OH:47])[C@@H:11]([CH2:5][OH:41])[O:62][C@@H:36]([O:67][C@H:30]4[C@H:18]([OH:48])[C@@H:12]([CH2:6][OH:42])[O:61][C@@H:35]([O:65][C@H:28]5[C@H:16]([OH:46])[C@@H:10]([CH2:4][OH:40])[O:59][C@@H:33]([O:63][C@H:26]6[C@H:14]([OH:44])[C@@H:8]([CH2:2][OH:38])[O:57][CH:31]([OH:56])[C@@H:21]6[OH:51])[C@@H:23]5[OH:53])[C@@H:25]4[OH:55])[C@@H:24]3[OH:54])[C@@H:22]2[OH:52])[O:58]1)[OH:37]
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:142494
chebi:142494
IJPVERCOVSUXRV-SWOKYYHISA-N 		laminarihexaose
(3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
Glc(b1-3)Glc(b1-3)Glc(b1-3)Glc(b1-3)Glc(b1-3)Glc
Glcbeta1-3Glcbeta1-3Glcbeta1-3Glcbeta1-3Glcbeta1-3Glc
WURCS=2.0/2,6,5/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2-2-2-2/a3-b1_b3-c1_c3-d1_d3-e1_e3-f1
beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-D-Glc
beta-D-Glcp-(1->3)-beta-D-Glcp-(1->3)-beta-D-Glcp-(1->3)-beta-D-Glcp-(1->3)-beta-D-Glcp-(1->3)-D-Glcp
beta-D-gluco-hexopyranosyl-(1->3)-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-gluco-hexopyranosyl-(1->3)-D-gluco-hexopyranose
beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-D-glucopyranose
beta-D-glucosyl-(1->3)-beta-D-glucosyl-(1->3)-beta-D-glucosyl-(1->3)-beta-D-glucosyl-(1->3)-beta-D-glucosyl-(1->3)-D-glucose

sabiork.compound:30448
sabiorkM:30448
IJPVERCOVSUXRV-SWOKYYHISA-N 		Laminarihexaose