1-(9Z,12Z,15Z-octadecatrienoyl)-2-(9Z-tetradecenoyl)-3-tetradecanoyl-sn-glycerol

Properties Image MNX_ID MNXM131172 reference slm:000130537 formula C49H86O6 global charge 0 mol weight 771.221 InChIKey CIZXNEUTBLZDKD-OZYUBDJZSA-N InChI InChI=1S/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,15-16,18-19,23-24,46H,4-6,8-9,11-14,17,20-22,25-45H2,1-3H3/b10-7-,18-15-,19-16-,24-23-/t46-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCC MNX internals InChI (mnx) InChI=1/C49H86O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h7,10,15-16,18-19,23-24,46H,4-6,8-9,11-14,17,20-22,25-45H2,1-3H3/b10-7-,18-15-,19-16-,24-23-/t46-/m0/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:28][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][C:48](=[O:51])[O:54][CH2:45][C@H:46]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:50])[O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:27][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:52]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0