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1-(11E-octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-3-triacontanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM191479 Image of MNXM191479
referenceslm:000291722
formulaC71H130O6
global charge0
mol weight1079.815
InChIKeyXAUMETXSZQRQAU-MRBBCLDFSA-N
InChIInChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-41-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-40-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,44,47,68H,4-16,18-19,22-23,25,27-28,30-43,45-46,48-67H2,1-3H3/b20-17-,24-21+,29-26-,47-44-/t68-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C71H130O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-41-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-40-29-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,29,44,47,68H,4-16,18-19,22-23,25,27-28,30-43,45-46,48-67H2,1-3H3/b20-17-,24-21+,29-26-,47-44-/t68-/m1/s1 Image of MNXM191479
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][C:70](=[O:73])[O:76][CH2:67][C@@H:68]([CH2:66][O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:72])[O:77][C:71]([CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:40]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:74]
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:000291722
slm:000291722
XAUMETXSZQRQAU-MRBBCLDFSA-N
1-(11E-octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-3-triacontanoyl-sn-glycerol
TG(18:1(11E)/20:3(8Z,11Z,14Z)/30:0)
Triacylglycerol (18:1(11E)/20:3(8Z,11Z,14Z)/30:0)