Search MNXref
 Feedback

1-(9Z,12Z,15Z-octadecatrienoyl)-2-heneicosanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM320997 Image of MNXM320997
referenceslm:000197584
formulaC60H102O6
global charge0
mol weight919.47
InChIKeyBAVQKTXZJCUPMY-MVQQFYPMSA-N
InChIInChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2)56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,31-32,37,40,57H,4-7,10,13-16,19,22-25,28-30,33-36,38-39,41-56H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,31-26-,32-27-,40-37-/t57-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C60H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2)56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,31-32,37,40,57H,4-7,10,13-16,19,22-25,28-30,33-36,38-39,41-56H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,31-26-,32-27-,40-37-/t57-/m0/s1 Image of MNXM320997
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][CH2:36][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]/[CH:40]=[CH:37]\[CH2:34]/[CH:31]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[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:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[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:000197584
slm:000197584
BAVQKTXZJCUPMY-MVQQFYPMSA-N
1-(9Z,12Z,15Z-octadecatrienoyl)-2-heneicosanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
TG(18:3(9Z,12Z,15Z)/21:0/18:4(6Z,9Z,12Z,15Z))
Triacylglycerol (18:3(9Z,12Z,15Z)/21:0/18:4(6Z,9Z,12Z,15Z))