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

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1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-dodecanoyl-sn-glycero-3-phosphocholine

	Properties	Image
MNX_ID	MNXM69837
reference	slm:000010983
formula	C₃₈H₆₈NO₈P
global charge	0
mol weight	697.935
InChIKey	DYDMXPCGAJDEPA-UUWQSJFQSA-N
InChI	InChI=1S/C38H68NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-23-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-22-15-13-11-9-7-2/h8,10,14,16,18-19,21,23,36H,6-7,9,11-13,15,17,20,22,24-35H2,1-5H3/b10-8-,16-14-,19-18-,23-21-/t36-/m1/s1
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C38H68NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-23-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-22-15-13-11-9-7-2/h8,10,14,16,18-19,21,23,36H,6-7,9,11-13,15,17,20,22,24-35H2,1-5H3/b10-8-,16-14-,19-18-,23-21-/t36-/m1/s1
SMILES (mnx)	[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:23]\[CH2:24][CH2:26][CH2:28][CH2:30][C:37](=[O:40])[O:44][CH2:34][C@H:36]([CH2:35][O:46][P:48](=[O:42])([O-:43])[O:45][CH2:33][CH2:32][N+:39]([CH3:3])([CH3:4])[CH3:5])[O:47][C:38]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:22][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:41]

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:000010983 slm:000010983 DYDMXPCGAJDEPA-UUWQSJFQSA-N	1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-dodecanoyl-sn-glycero-3-phosphocholine PC(18:4(6Z,9Z,12Z,15Z)/12:0) Phosphatidylcholine (18:4(6Z,9Z,12Z,15Z)/12:0)
lipidmaps:LMGP01011700 lipidmapsM:LMGP01011700 DYDMXPCGAJDEPA-UUWQSJFQSA-N	PC(18:4(6Z,9Z,12Z,15Z)/12:0) 1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-dodecanoyl-glycero-3-phosphocholine PC 30:4 PC(12:0_18:4) PC(30:4)