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

Feedback

1-dodecanoyl-2-pentadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

	Properties	Image
MNX_ID	MNXM109378
reference	slm:000129090
formula	C₄₈H₈₆O₆
global charge	0
mol weight	759.21
InChIKey	VNLAREXMHAOWBN-GRKYOCKJSA-N
InChI	InChI=1S/C48H86O6/c1-4-7-10-13-16-19-21-23-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-22-20-17-14-11-8-5-2/h16,19,23-24,27,29,45H,4-15,17-18,20-22,25-26,28,30-44H2,1-3H3/b19-16-,24-23-,29-27-/t45-/m1/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C48H86O6/c1-4-7-10-13-16-19-21-23-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-22-20-17-14-11-8-5-2/h16,19,23-24,27,29,45H,4-15,17-18,20-22,25-26,28,30-44H2,1-3H3/b19-16-,24-23-,29-27-/t45-/m1/s1
SMILES (mnx)	[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:27]=[CH:29]\[CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:50])[O:53][CH2:44][C@@H:45]([CH2:43][O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:49])[O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:26][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:51]

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:000129090 slm:000129090 VNLAREXMHAOWBN-GRKYOCKJSA-N	1-dodecanoyl-2-pentadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol TG(12:0/15:0/18:3(6Z,9Z,12Z)) Triacylglycerol (12:0/15:0/18:3(6Z,9Z,12Z))
lipidmaps:LMGL03013276 lipidmapsM:LMGL03013276 VNLAREXMHAOWBN-GRKYOCKJSA-N	TG(12:0/15:0/18:3(6Z,9Z,12Z))[iso6] 1-dodecanoyl-2-pentadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol TG 45:3 TG(12:0_15:0_18:3) TG(45:3)