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

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1-heptadecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol

	Properties	Image
MNX_ID	MNXM49463
reference	slm:000122488
formula	C₄₂H₇₂O₅
global charge	0
mol weight	657.033
InChIKey	AUTBVWVIWRHYJD-UXDFFJRFSA-N
InChI	InChI=1S/C42H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,40,43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-39H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,27-25-/t40-/m0/s1
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C42H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,40,43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-39H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,27-25-/t40-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:45])[O:47][C@@H:40]([CH2:38][OH:43])[CH2:39][O:46][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44]

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:000122488 slm:000122488 AUTBVWVIWRHYJD-UXDFFJRFSA-N	1-heptadecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol DG(17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) Diacylglycerol (17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
lipidmaps:LMGL02010173 lipidmapsM:LMGL02010173 AUTBVWVIWRHYJD-UXDFFJRFSA-N	DG(17:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] 1-heptadecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol DG 39:5 DG(17:0/22:5/0:0)[iso2] DG(17:0_22:5) DG(39:5)