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1-(O-alpha-D-glucopyranosyl)-3-keto-(1,25R,27R)-octacosanetriol

PropertiesImage
MNX_IDMNXM23450 Image of MNXM23450
referencelipidmapsM:LMFA13010023
formulaC34H66O9
global charge0
mol weight618.893
InChIKeyRNTKVHFMPKUBEV-LVDOKWIRSA-N
InChIInChI=1S/C34H66O9/c1-27(36)25-29(38)22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-28(37)23-24-42-34-33(41)32(40)31(39)30(26-35)43-34/h27,29-36,38-41H,2-26H2,1H3/t27-,29+,30-,31-,32+,33-,34+/m1/s1
SMILESC[C@@H](O)C[C@@H](O)CCCCCCCCCCCCCCCCCCCCCC(=O)CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C34H66O9/c1-27(36)25-29(38)22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-28(37)23-24-42-34-33(41)32(40)31(39)30(26-35)43-34/h27,29-36,38-41H,2-26H2,1H3/t27-,29+,30-,31-,32+,33-,34+/m1/s1 Image of MNXM23450
SMILES (mnx)[CH3:1][C@H:27]([CH2:25][C@H:29]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][C:28]([CH2:23][CH2:24][O:42][C@@H:34]1[C@H:33]([OH:41])[C@@H:32]([OH:40])[C@H:31]([OH:39])[C@@H:30]([CH2:26][OH:35])[O:43]1)=[O:37])[OH:38])[OH:36]
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

lipidmaps:LMFA13010023
lipidmapsM:LMFA13010023
RNTKVHFMPKUBEV-LVDOKWIRSA-N
1-(O-alpha-D-glucopyranosyl)-3-keto-(1,25R,27R)-octacosanetriol
1-(O-alpha-D-glucopyranosyl)-3-keto-(1,25R,27R)-octacosanetriol