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1-hexadecanoyl-2-(11Z-octadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol

MNXM145926 is deprecated and here replaced by MNXM728644
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728644 Image of MNXM728644
referenceslm:000158587
formulaC55H102O6
global charge0
mol weight859.415
InChIKeyBUBKDTQRUWZQHX-AEPQGVMRSA-N
InChIInChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20,23,25,27,52H,4-19,21-22,24,26,28-51H2,1-3H3/b23-20-,27-25-/t52-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h20,23,25,27,52H,4-19,21-22,24,26,28-51H2,1-3H3/b23-20-,27-25-/t52-/m1/s1 Image of MNXM728644
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:26]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58]
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:000158587
slm:000158587
BUBKDTQRUWZQHX-AEPQGVMRSA-N 		1-hexadecanoyl-2-(11Z-octadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol
TG(16:0/18:1(11Z)/18:1(9Z))
Triacylglycerol (16:0/18:1(11Z)/18:1(9Z))