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1-(9Z,12Z,15Z-octadecatrienoyl)-2-octadecanoyl-3-beta-D-galactosyl-sn-glycerol

PropertiesImage
MNX_IDMNXM321352 Image of MNXM321352
referenceslm:000500545
formulaC45H80O10
global charge0
mol weight781.125
InChIKeyCXMFYMRNDZMDGC-UKPJNRNKSA-N
InChIInChI=1S/C45H80O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,38-39,42-46,49-51H,3-4,6,8-10,12,14-16,18,20-37H2,1-2H3/b7-5-,13-11-,19-17-/t38-,39-,42+,43+,44-,45-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C45H80O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,38-39,42-46,49-51H,3-4,6,8-10,12,14-16,18,20-37H2,1-2H3/b7-5-,13-11-,19-17-/t38-,39-,42+,43+,44-,45-/m1/s1 Image of MNXM321352
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:47])[O:52][CH2:36][C@H:38]([CH2:37][O:53][C@H:45]1[C@H:44]([OH:51])[C@@H:43]([OH:50])[C@@H:42]([OH:49])[C@@H:39]([CH2:35][OH:46])[O:55]1)[O:54][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48]
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

SLM:000500545
slm:000500545
CXMFYMRNDZMDGC-UKPJNRNKSA-N
1-(9Z,12Z,15Z-octadecatrienoyl)-2-octadecanoyl-3-beta-D-galactosyl-sn-glycerol
MGDG(18:3(9Z,12Z,15Z)/18:0)
Monogalactosyldiacylglycerol (18:3(9Z,12Z,15Z)/18:0)