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

Feedback

1-hexadecanoyl-2-acetyl-sn-glycero-3-phosphocholine

	Properties	Image
MNX_ID	MNXM12588
reference	chebi:75219
formula	C₂₆H₅₂NO₈P
global charge	0
mol weight	537.675
InChIKey	XPAXRSJGGFVTFM-RUZDIDTESA-N
InChI	InChI=1S/C26H52NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)32-22-25(35-24(2)28)23-34-36(30,31)33-21-20-27(3,4)5/h25H,6-23H2,1-5H3/t25-/m1/s1
SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O

MNX internals

InChI (mnx)	InChI=1/C26H52NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)32-22-25(35-24(2)28)23-34-36(30,31)33-21-20-27(3,4)5/h25H,6-23H2,1-5H3/t25-/m1/s1
SMILES (mnx)	[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:26](=[O:29])[O:32][CH2:22][C@H:25]([CH2:23][O:34][P:36](=[O:30])([O-:31])[O:33][CH2:21][CH2:20][N+:27]([CH3:3])([CH3:4])[CH3:5])[O:35][C:24]([CH3:2])=[O:28]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75219 chebi:75219 XPAXRSJGGFVTFM-RUZDIDTESA-N	1-hexadecanoyl-2-acetyl-sn-glycero-3-phosphocholine (2R)-2-acetoxy-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate (2R)-2-acetoxy-3-(palmitoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate 1-O-Palmitoyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine 1-Palmitoyl-2-acetyl-sn-glycero-3-phosphorylcholine 1-palmitoyl-2-acetyl-sn-glycero-3-phosphocholine 1-palmitoyl-2-acetyl-sn-phosphatidylcholine PC(16:0/2:0)
SLM:000000695 slm:000000695 XPAXRSJGGFVTFM-RUZDIDTESA-N	1-hexadecanoyl-2-acetyl-sn-glycero-3-phosphocholine PC(16:0/2:0) Phosphatidylcholine (16:0/2:0)
lipidmaps:LMGP01010612 lipidmapsM:LMGP01010612 XPAXRSJGGFVTFM-RUZDIDTESA-N	PC(16:0/2:0) 1-O-Palmitoyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine 1-Palmitoyl-2-acetyl-sn-glycero-3-phosphocholine 1-Palmitoyl-2-acetyl-sn-glycero-3-phosphorylcholine 1-hexadecanoyl-2-acetyl-sn-glycero-3-phosphocholine PC 18:0 PC(16:0_2:0) PC(18:0)