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1-(9Z-octadecenoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-3-heptadecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM332128 Image of MNXM332128
referenceslm:000202614
formulaC60H108O6
global charge0
mol weight925.518
InChIKeyUXOHPALDKJOOEW-WBGALNBBSA-N
InChIInChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30-32,57H,4-15,17-18,20-24,27,29,33-56H2,1-3H3/b19-16-,28-25-,31-30-,32-26-/t57-/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C60H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h16,19,25-26,28,30-32,57H,4-15,17-18,20-24,27,29,33-56H2,1-3H3/b19-16-,28-25-,31-30-,32-26-/t57-/m0/s1 Image of MNXM332128
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:63])[O:66][C@@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:32]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62]
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:000202614
slm:000202614
UXOHPALDKJOOEW-WBGALNBBSA-N
1-(9Z-octadecenoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-3-heptadecanoyl-sn-glycerol
TG(18:1(9Z)/22:3(10Z,13Z,16Z)/17:0)
Triacylglycerol (18:1(9Z)/22:3(10Z,13Z,16Z)/17:0)