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1-heneicosanoyl-2-(11Z-eicosenoyl)-3-(15-methylhexadecanoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM356587 Image of MNXM356587
referenceslm:000217955
formulaC61H116O6
global charge0
mol weight945.593
InChIKeyFZZJEVTZIXDFDR-WKAQKKJQSA-N
InChIInChI=1S/C61H116O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-32-36-40-44-48-52-59(62)65-55-58(56-66-60(63)53-49-45-41-37-34-30-31-35-39-43-47-51-57(3)4)67-61(64)54-50-46-42-38-33-29-27-24-22-20-18-16-14-12-10-8-6-2/h20,22,57-58H,5-19,21,23-56H2,1-4H3/b22-20-/t58-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C61H116O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-32-36-40-44-48-52-59(62)65-55-58(56-66-60(63)53-49-45-41-37-34-30-31-35-39-43-47-51-57(3)4)67-61(64)54-50-46-42-38-33-29-27-24-22-20-18-16-14-12-10-8-6-2/h20,22,57-58H,5-19,21,23-56H2,1-4H3/b22-20-/t58-/m1/s1 Image of MNXM356587
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:26][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][C:59](=[O:62])[O:65][CH2:55][C@H:58]([CH2:56][O:66][C:60]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:34][CH2:30][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH:57]([CH3:3])[CH3:4])=[O:63])[O:67][C:61]([CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:33][CH2:29][CH2:27][CH2:24]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:64]
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:000217955
slm:000217955
FZZJEVTZIXDFDR-WKAQKKJQSA-N
1-heneicosanoyl-2-(11Z-eicosenoyl)-3-(15-methylhexadecanoyl)-sn-glycerol
TG(21:0/20:1(11Z)/17:0)
Triacylglycerol (21:0/20:1(11Z)/17:0)