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1-heneicosanoyl-2-(11E-octadecenoyl)-3-(9Z,11E-octadecadienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM356386 Image of MNXM356386
referenceslm:000204129
formulaC60H110O6
global charge0
mol weight927.534
InChIKeyPXWQCPTXYCDTDS-DLVOVUSVSA-N
InChIInChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-32-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20-21,23-24,26,31,57H,4-19,22,25,27-30,32-56H2,1-3H3/b23-20+,24-21+,31-26-/t57-/m0/s1
SMILESCCCCCC/C=C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C/CCCCCC
MNX internals
InChI (mnx)InChI=1/C60H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-33-35-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-36-32-27-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h20-21,23-24,26,31,57H,4-19,22,25,27-30,32-56H2,1-3H3/b23-20+,24-21+,31-26-/t57-/m0/s1 Image of MNXM356386
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][CH2:56][C@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:31]=[CH:26]\[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:61])[O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63]
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:000204129
slm:000204129
PXWQCPTXYCDTDS-DLVOVUSVSA-N
1-heneicosanoyl-2-(11E-octadecenoyl)-3-(9Z,11E-octadecadienoyl)-sn-glycerol
TG(21:0/18:1(11E)/18:2(9Z,11E))
Triacylglycerol (21:0/18:1(11E)/18:2(9Z,11E))