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

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1-hexadecanoyl-sn-glycero-3-phosphoglycerol

	Properties	Image
MNX_ID	MNXM162615
reference	chebi:84475
formula	C₂₂H₄₄O₉P
global charge	-1
mol weight	483.559
InChIKey	BVJSKAUUFXBDOB-BPGUCPLFSA-M
InChI	InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/p-1/t20?,21-/m1/s1
SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC(O)CO

MNX internals

InChI (mnx)	InChI=1/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/t20?,21-/m1/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:22](=[O:26])[O:29][CH2:17][C@H:21]([CH2:19][O:31][P:32]([OH:27])(=[O:28])[O:30][CH2:18][CH:20]([CH2:16][OH:23])[OH:24])[OH:25]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84475 chebi:84475 BVJSKAUUFXBDOB-BPGUCPLFSA-M	1-hexadecanoyl-sn-glycero-3-phosphoglycerol 1-hexadecanoyl-sn-glycero-3-phosphoglycerol(1-) 1-palmitoyl-sn-glycero-3-phosphoglycerol(1-) 2,3-dihydroxypropyl (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl phosphate PG(16:0/0:0)
CHEBI:85407 chebi:85407 BVJSKAUUFXBDOB-BPGUCPLFSA-N	1-palmitoyl-sn-glycero-3-phosphoglycerol (2R)-3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate 1-hexadecanoyl-sn-glycero-3-phosphoglycerol PG(16:0/0:0)