MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

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

MNXM146240 is deprecated and here replaced by MNXM728759
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM728759
reference	slm:000175494
formula	C₅₇H₁₀₆O₆
global charge	0
mol weight	887.469
InChIKey	QSSFEHLDOLWIDL-KXJCGXRXSA-N
InChI	InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,27,30,54H,4-18,20-21,23-26,28-29,31-53H2,1-3H3/b22-19-,30-27-/t54-/m0/s1
SMILES	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19,22,27,30,54H,4-18,20-21,23-26,28-29,31-53H2,1-3H3/b22-19-,30-27-/t54-/m0/s1
SMILES (mnx)	[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:22]\[CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH2:52][C@@H:54]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60]

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
Identifier	Description
SLM:000175494 slm:000175494 QSSFEHLDOLWIDL-KXJCGXRXSA-N	1-octadecanoyl-2-(9Z-octadecenoyl)-3-(11Z-octadecenoyl)-sn-glycerol TG(18:0/18:1(9Z)/18:1(11Z)) Triacylglycerol (18:0/18:1(9Z)/18:1(11Z))