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1,3-di-(13-methyltetradecanoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM177698 Image of MNXM177698
referenceslm:000157380
formulaC55H100O6
global charge0
mol weight857.399
InChIKeyHNITVBZWGDWIPA-NWFXIAEYSA-N
InChIInChI=1S/C55H100O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32-37-42-47-55(58)61-52(48-59-53(56)45-40-35-30-26-21-23-28-33-38-43-50(2)3)49-60-54(57)46-41-36-31-27-22-24-29-34-39-44-51(4)5/h10-11,13-14,16-17,50-52H,6-9,12,15,18-49H2,1-5H3/b11-10-,14-13-,17-16-
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C55H100O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32-37-42-47-55(58)61-52(48-59-53(56)45-40-35-30-26-21-23-28-33-38-43-50(2)3)49-60-54(57)46-41-36-31-27-22-24-29-34-39-44-51(4)5/h10-11,13-14,16-17,50-52H,6-9,12,15,18-49H2,1-5H3/b11-10-,14-13-,17-16- Image of MNXM177698
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:25][CH2:32][CH2:37][CH2:42][CH2:47][C:55](=[O:58])[O:61][CH:52]([CH2:48][O:59][C:53]([CH2:45][CH2:40][CH2:35][CH2:30][CH2:26][CH2:21][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH:50]([CH3:2])[CH3:3])=[O:56])[CH2:49][O:60][C:54]([CH2:46][CH2:41][CH2:36][CH2:31][CH2:27][CH2:22][CH2:24][CH2:29][CH2:34][CH2:39][CH2:44][CH:51]([CH3:4])[CH3:5])=[O:57]
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:000157380
slm:000157380
HNITVBZWGDWIPA-NWFXIAEYSA-N
1,3-di-(13-methyltetradecanoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol
TG(15:0/22:3(10Z,13Z,16Z)/15:0)
Triacylglycerol (15:0/22:3(10Z,13Z,16Z)/15:0)