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Starch acetate

PropertiesImage
MNX_IDMNXM1129013 Image of MNXM1129013
referencechebi:168003
formulaC29H50O21
global charge0
mol weight734.698
InChIKeyMKRNVBXERAPZOP-UHFFFAOYSA-N
InChIInChI=1S/C29H50O21/c1-9-15(34)16(35)24(13(7-32)44-9)49-28-20(39)18(37)25(50-29-26(45-10(2)33)21(40)23(42-4)12(6-31)47-29)14(48-28)8-43-27-19(38)17(36)22(41-3)11(5-30)46-27/h9,11-32,34-40H,5-8H2,1-4H3
SMILESCOC1C(CO)OC(OCC2OC(OC3C(CO)OC(C)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2OC(C)=O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C29H50O21/c1-9-15(34)16(35)24(13(7-32)44-9)49-28-20(39)18(37)25(50-29-26(45-10(2)33)21(40)23(42-4)12(6-31)47-29)14(48-28)8-43-27-19(38)17(36)22(41-3)11(5-30)46-27/h9,11-32,34-40H,5-8H2,1-4H3/t9?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29? Image of MNXM1129013
SMILES (mnx)[CH3:1][CH:9]1[CH:15]([OH:34])[CH:16]([OH:35])[CH:24]([O:49][CH:28]2[CH:20]([OH:39])[CH:18]([OH:37])[CH:25]([O:50][CH:29]3[CH:26]([O:45][C:10]([CH3:2])=[O:33])[CH:21]([OH:40])[CH:23]([O:42][CH3:4])[CH:12]([CH2:6][OH:31])[O:47]3)[CH:14]([CH2:8][O:43][CH:27]3[CH:19]([OH:38])[CH:17]([OH:36])[CH:22]([O:41][CH3:3])[CH:11]([CH2:5][OH:30])[O:46]3)[O:48]2)[CH:13]([CH2:7][OH:32])[O:44]1
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:168003
chebi:168003
MKRNVBXERAPZOP-UHFFFAOYSA-N 		Starch acetate
[2-[2-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-6-[4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl] acetate
hmdb:HMDB0258484
MKRNVBXERAPZOP-UHFFFAOYSA-N 		Starch, acetate
2-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-3-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl acetate
2-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-3-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl acetic acid