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1-(13Z-docosenoyl)-2-hexacosanoyl-3-(15-methylhexadecanoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM224298 Image of MNXM224298
referenceslm:000279209
formulaC68H130O6
global charge0
mol weight1043.782
InChIKeyOORNAFNROGFTRA-RDQSDOOPSA-N
InChIInChI=1S/C68H130O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-40-45-49-53-57-61-68(71)74-65(63-73-67(70)60-56-52-48-44-41-37-38-42-46-50-54-58-64(3)4)62-72-66(69)59-55-51-47-43-39-35-33-31-29-24-22-20-18-16-14-12-10-8-6-2/h20,22,64-65H,5-19,21,23-63H2,1-4H3/b22-20-/t65-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C68H130O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-40-45-49-53-57-61-68(71)74-65(63-73-67(70)60-56-52-48-44-41-37-38-42-46-50-54-58-64(3)4)62-72-66(69)59-55-51-47-43-39-35-33-31-29-24-22-20-18-16-14-12-10-8-6-2/h20,22,64-65H,5-19,21,23-63H2,1-4H3/b22-20-/t65-/m1/s1 Image of MNXM224298
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][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:40][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][C:68](=[O:71])[O:74][C@H:65]([CH2:62][O:72][C:66]([CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:33][CH2:31][CH2:29][CH2:24]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:69])[CH2:63][O:73][C:67]([CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:41][CH2:37][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH:64]([CH3:3])[CH3:4])=[O:70]
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:000279209
slm:000279209
OORNAFNROGFTRA-RDQSDOOPSA-N
1-(13Z-docosenoyl)-2-hexacosanoyl-3-(15-methylhexadecanoyl)-sn-glycerol
TG(22:1(13Z)/26:0/17:0)
Triacylglycerol (22:1(13Z)/26:0/17:0)