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

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1-(9Z-hexadecenoyl)-2-heneicosanoyl-sn-glycerol

	Properties	Image
MNX_ID	MNXM49431
reference	slm:000121396
formula	C₄₀H₇₆O₅
global charge	0
mol weight	637.043
InChIKey	XPSNAAVTAFBAPS-KNVMUVLWSA-N
InChI	InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h14,16,38,41H,3-13,15,17-37H2,1-2H3/b16-14-/t38-/m0/s1
SMILES	CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C40H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h14,16,38,41H,3-13,15,17-37H2,1-2H3/b16-14-/t38-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:43])[O:45][C@@H:38]([CH2:36][OH:41])[CH2:37][O:44][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42]

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:000121396 slm:000121396 XPSNAAVTAFBAPS-KNVMUVLWSA-N	1-(9Z-hexadecenoyl)-2-heneicosanoyl-sn-glycerol DG(16:1(9Z)/21:0/0:0) Diacylglycerol (16:1(9Z)/21:0/0:0)
lipidmaps:LMGL02010095 lipidmapsM:LMGL02010095 XPSNAAVTAFBAPS-KNVMUVLWSA-N	DG(16:1(9Z)/21:0/0:0)[iso2] 1-(9Z-hexadecenoyl)-2-heneicosanoyl-sn-glycerol DG 37:1 DG(16:1/21:0/0:0)[iso2] DG(16:1_21:0) DG(37:1)