**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

1-20:1-2-18:3-monogalactosyldiacylglycerol

Properties Image MNX_ID MNXM32604 reference chebi:183185 formula C47H82O10 global charge 0 mol weight 807.163 InChIKey RFISTGNMPQFAGY-KKKXAECXSA-N InChI InChI=1S/C47H82O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,40-41,44-48,51-53H,3-5,7,9-11,13,15-16,20,22-39H2,1-2H3/b8-6-,14-12-,19-17-,21-18-/t40-,41-,44+,45+,46-,47-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C47H82O10/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(49)54-38-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)56-43(50)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,40-41,44-48,51-53H,3-5,7,9-11,13,15-16,20,22-39H2,1-2H3/b8-6-,14-12-,19-17-,21-18-/t40-,41-,44+,45+,46-,47-/m1/s1 SMILES (mnx) [CH2:1]1[C@H:14]([CH2:16][CH3:6])[C@@H:12]([CH3:4])[C@H:11]([CH3:3])[C@@H:13]([CH3:5])[C@@H:15]1[CH2:2][CH2:17][C@H:18]([CH2:7][C:26](=[CH2:9])[CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:40][CH2:45]/[O:48]=[O:49]\[O:50]/[O:51]=[O:52]\[O:53]/[O:54]=[O:55]\[O:56][OH:57])[CH2:19][CH2:8][C:32](=[CH2:10])[CH2:28][CH2:24][CH2:22][CH2:20][CH2:21][CH2:23][CH2:25][CH2:30][CH2:34]/[CH:42]=[CH:44]/[CH2:41][CH2:38][CH2:36][CH2:37][CH2:39][CH2:43][CH2:46][CH3:47]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:183185 chebi:183185 RFISTGNMPQFAGY-KKKXAECXSA-N	1-20:1-2-18:3-monogalactosyldiacylglycerol [(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (Z)-icos-11-enoate
seed.compound:cpd25254 seedM:cpd25254 RFISTGNMPQFAGY-KKKXAECXSA-N	1-(11Z-eicosenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol 1-(11Z-icosenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol 1-20:1-2-18:3-monogalactosyldiacylglycerol 20:1-18:3-MGDG
metacyc.compound:CPD-8416 metacycM:CPD-8416 RFISTGNMPQFAGY-KKKXAECXSA-N	1-20:1-2-18:3-monogalactosyldiacylglycerol 1-(11Z-eicosenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol 1-(11Z-icosenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol 20:1-18:3-MGDG
seedM:M_cpd25254	secondary/obsolete/fantasy identifier