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3-alpha-D-glucuronosyl-2-palmitoyl-1-stearoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM150860 Image of MNXM150860
referencechebi:73471
formulaC43H80O11
global charge0
mol weight773.102
InChIKeyMWMJZUXIQSJZGX-ZUDBAVPRSA-N
InChIInChI=1S/C43H80O11/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)51-33-35(34-52-43-40(48)38(46)39(47)41(54-43)42(49)50)53-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38-41,43,46-48H,3-34H2,1-2H3,(H,49,50)/t35-,38+,39+,40-,41+,43+/m1/s1
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C43H80O11/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)51-33-35(34-52-43-40(48)38(46)39(47)41(54-43)42(49)50)53-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38-41,43,46-48H,3-34H2,1-2H3,(H,49,50)/t35-,38+,39+,40-,41+,43+/m1/s1 Image of MNXM150860
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:44])[O:51][CH2:33][C@H:35]([CH2:34][O:52][C@@H:43]1[C@H:40]([OH:48])[C@@H:38]([OH:46])[C@H:39]([OH:47])[C@@H:41]([C:42](=[O:49])[OH:50])[O:54]1)[O:53][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45]
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:73471
chebi:73471
MWMJZUXIQSJZGX-ZUDBAVPRSA-N
3-alpha-D-glucuronosyl-2-palmitoyl-1-stearoyl-sn-glycerol
(2S)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propyl alpha-D-glucopyranosiduronic acid
(2S)-2-(palmitoyloxy)-3-(stearoyloxy)propyl alpha-D-glucopyranosiduronic acid
alpha-GlcA-DAG (C18:0/C16:0)
alpha-GlcA-DAG (C18:0/C16:0) from Mycobacterium smegmatis