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

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1-(8Z,11Z,14Z-eicosatrienoyl)-2-tridecanoyl-sn-glycero-3-phosphocholine

	Properties	Image
MNX_ID	MNXM70135
reference	slm:000011710
formula	C₄₁H₇₆NO₈P
global charge	0
mol weight	742.032
InChIKey	WLUWRRQQJBYBOT-YGQCGPNASA-N
InChI	InChI=1S/C41H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-25-17-15-13-11-9-7-2/h14,16,19-20,22-23,39H,6-13,15,17-18,21,24-38H2,1-5H3/b16-14-,20-19-,23-22-/t39-/m1/s1
SMILES	CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C41H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-25-17-15-13-11-9-7-2/h14,16,19-20,22-23,39H,6-13,15,17-18,21,24-38H2,1-5H3/b16-14-,20-19-,23-22-/t39-/m1/s1
SMILES (mnx)	[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:43])[O:47][CH2:37][C@H:39]([CH2:38][O:49][P:51](=[O:45])([O-:46])[O:48][CH2:36][CH2:35][N+:42]([CH3:3])([CH3:4])[CH3:5])[O:50][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][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:000011710 slm:000011710 WLUWRRQQJBYBOT-YGQCGPNASA-N	1-(8Z,11Z,14Z-eicosatrienoyl)-2-tridecanoyl-sn-glycero-3-phosphocholine PC(20:3(8Z,11Z,14Z)/13:0) Phosphatidylcholine (20:3(8Z,11Z,14Z)/13:0)
lipidmaps:LMGP01011867 lipidmapsM:LMGP01011867 WLUWRRQQJBYBOT-YGQCGPNASA-N	PC(20:3(8Z,11Z,14Z)/13:0) 1-(8Z,11Z,14Z-eicosatrienoyl)-2-tridecanoyl-glycero-3-phosphocholine PC 33:3 PC(13:0_20:3) PC(33:3)