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alpha-maltoheptaose

PropertiesImage
MNX_IDMNXM1104130 Image of MNXM1104130
referencechebi:61954
formulaC42H72O36
global charge0
mol weight1153.002
InChIKeyBNABBHGYYMZMOA-AHIHXIOASA-N
InChIInChI=1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,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+,37-,38-,39-,40-,41-,42-/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[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)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/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,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+,37-,38-,39-,40-,41-,42-/m1/s1 Image of MNXM1104130
SMILES (mnx)[C@@H:1]1([CH3:2])[C@@H:3]([CH2:4][C@H:17]2[CH2:19][C@H:16]([CH2:21][CH3:22])[C@H:14]([CH3:15])[C@H:12]([CH3:13])[C@H:20]2[CH3:18])[C@H:5]([CH2:10][CH3:11])[CH2:8][C@@H:6]([CH2:26][C@@H:25]2[C@@H:23]([CH3:24])[C@@H:31]([CH3:29])[C@@H:28]([CH2:37][C@@H:36]3[C@@H:34]([CH3:35])[O:43]([CH3:41])[C@@H:39]([CH2:40][O@:48]4[O@:46]([OH:47])[O@@:54]([OH:52])[O@:50]([O:51][O@:59]5[O@@:57]([OH:58])[O@:65]([OH:63])[O@:61]([O:62][O@:70]6[O@@:68]([OH:69])[O@:76]([OH:74])[O@:72]([OH:73])[O:75][O:71]6[O:77][OH:78])[O:64][O@@:60]5[O:66][OH:67])[O:53][O@@:49]4[O:55][OH:56])[CH2:42][C@H:38]3[O:44][OH:45])[CH2:30][C@H:27]2[CH2:32][CH3:33])[C@H:9]1[CH3:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)19
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61954
chebi:61954
BNABBHGYYMZMOA-AHIHXIOASA-N 		alpha-maltoheptaose
WURCS=2.0/1,7,6/[a2122h-1a_1-5]/1-1-1-1-1-1-1/a4-b1_b4-c1_c4-d1_d4-e1_e4-f1_f4-g1
alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-alpha-D-Glc
alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp
alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose
alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucose

seed.compound:cpd03718
seedM:cpd03718
BNABBHGYYMZMOA-QJBBZCPBSA-N 		Celloheptaose
Maltoheptaose
maltoheptaose

CHEBI:143183
chebi:143183
BNABBHGYYMZMOA-QJBBZCPBSA-N 		D-maltoheptaose
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-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-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc
WURCS=2.0/2,7,6/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2-2-2-2-2/a4-b1_b4-c1_c4-d1_d4-e1_e4-f1_f4-g1
alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glcp
alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose

bigg.metabolite:malthp
biggM:malthp
BNABBHGYYMZMOA-QJBBZCPBSA-N 		Maltoheptaose
hmdb:HMDB0013000
BNABBHGYYMZMOA-AHIHXIOASA-N 		Maltoheptaose
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-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}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Maltoheptaose, (D-glucose)-isomer
Maltoheptose
WURCS=2.0/1,7,6/[a2122h-1a_1-5]/1-1-1-1-1-1-1/a4-b1_b4-c1_c4-D1_d4-e1_e4-F1_f4-g1
a-D-GLC-(1->4)-a-D-GLC-(1->4)-a-D-GLC-(1->4)-a-D-GLC-(1->4)-a-D-GLC-(1->4)-a-D-GLC-(1->4)-a-D-GLC
a-D-GLCP-(1->4)-a-D-GLCP-(1->4)-a-D-GLCP-(1->4)-a-D-GLCP-(1->4)-a-D-GLCP-(1->4)-a-D-GLCP-(1->4)-a-D-GLCP
a-D-Glucosyl-(1->4)-a-D-glucosyl-(1->4)-a-D-glucosyl-(1->4)-a-D-glucosyl-(1->4)-a-D-glucosyl-(1->4)-a-D-glucosyl-(1->4)-a-D-glucose
a-Maltoheptaose
alpha-D-GLC-(1->4)-alpha-D-GLC-(1->4)-alpha-D-GLC-(1->4)-alpha-D-GLC-(1->4)-alpha-D-GLC-(1->4)-alpha-D-GLC-(1->4)-alpha-D-GLC
alpha-D-GLCP-(1->4)-alpha-D-GLCP-(1->4)-alpha-D-GLCP-(1->4)-alpha-D-GLCP-(1->4)-alpha-D-GLCP-(1->4)-alpha-D-GLCP-(1->4)-alpha-D-GLCP
alpha-D-Glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucose
alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-alpha-D-glucose
alpha-maltoheptaose

seed.compound:cpd15494
seedM:cpd15494
BNABBHGYYMZMOA-AHIHXIOASA-N 		Maltoheptaose
malthp

metacyc.compound:CPD0-1133
metacycM:CPD0-1133
BNABBHGYYMZMOA-QJBBZCPBSA-N 		maltoheptaose

vmhM:malthp
vmhM:malthp
vmhmetabolite:malthp
vmhmetabolite:malthp
BNABBHGYYMZMOA-AHIHXIOASA-N 		maltoheptaose
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-t

hmdb:HMDB13000
biggM:M_malthp
seedM:M_cpd03718
seedM:M_cpd15494
vmhM:M_malthp 		secondary/obsolete/fantasy identifier