Search MNXref
 Feedback

beta-D-cellohexaose

PropertiesImage
MNX_IDMNXM736496 Image of MNXM736496
referencechebi:49533
formulaC36H62O31
global charge0
mol weight990.861
InChIKeyOCIBBXPLUVYKCH-FYTDUCIRSA-N
InChIInChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/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](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/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 MNXM736496
SMILES (mnx)[CH2:1]([C@@H:7]1[C@@H:13]([OH:43])[C@H:14]([OH:44])[C@@H:21]([OH:51])[C@H:32]([O:64][C@@H:27]2[C@@H:9]([CH2:3][OH:39])[O:60][C@@H:34]([O:66][C@@H:29]3[C@@H:11]([CH2:5][OH:41])[O:62][C@@H:36]([O:67][C@@H:30]4[C@@H:12]([CH2:6][OH:42])[O:61][C@@H:35]([O:65][C@@H:28]5[C@@H:10]([CH2:4][OH:40])[O:59][C@@H:33]([O:63][C@@H:26]6[C@@H:8]([CH2:2][OH:38])[O:57][C@@H:31]([OH:56])[C@H:20]([OH:50])[C@H:15]6[OH:45])[C@H:22]([OH:52])[C@H:17]5[OH:47])[C@H:24]([OH:54])[C@H:19]4[OH:49])[C@H:25]([OH:55])[C@H:18]3[OH:48])[C@H:23]([OH:53])[C@H:16]2[OH:46])[O:58]1)[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:49533
chebi:49533
OCIBBXPLUVYKCH-FYTDUCIRSA-N 		beta-D-cellohexaose
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Cellohexaose
Glc(b1-4)Glc(b1-4)Glc(b1-4)Glc(b1-4)Glc(b1-4)b-Glc
WURCS=2.0/1,6,5/[a2122h-1b_1-5]/1-1-1-1-1-1/a4-b1_b4-c1_c4-d1_d4-e1_e4-f1
beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

sabiork.compound:1647
sabiorkM:1647
kegg.compound:C06217
keggC:C06217
kegg.glycan:G01967
keggG:G01967
OCIBBXPLUVYKCH-FYTDUCIRSA-N 		Cellohexaose

seed.compound:cpd03719
seedM:cpd03719
OCIBBXPLUVYKCH-FYTDUCIRSA-N 		Cellohexaose
cellohexaose

metacyc.compound:CPD-13238
metacycM:CPD-13238
OCIBBXPLUVYKCH-FYTDUCIRSA-N 		cellohexaose

chebi:3525
keggC:M_C06217
keggG:M_G01967
seedM:M_cpd03719 		secondary/obsolete/fantasy identifier