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

Feedback

PA(22:0/21:0)

	Properties	Image
MNX_ID	MNXM67132
reference	chebi:187283
formula	C₄₆H₉₁O₈P
global charge	0
mol weight	803.2
InChIKey	GBTXLWIEBYUAPO-USYZEHPZSA-N
InChI	InChI=1S/C46H91O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-45(47)52-42-44(43-53-55(49,50)51)54-46(48)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h44H,3-43H2,1-2H3,(H2,49,50,51)/t44-/m1/s1
SMILES	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C46H91O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-45(47)52-42-44(43-53-55(49,50)51)54-46(48)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h44H,3-43H2,1-2H3,(H2,49,50,51)/t44-/m1/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:47])[O:52][CH2:42][C@H:44]([CH2:43][O:53][P:55]([OH:49])([OH:50])=[O:51])[O:54][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48]

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
CHEBI:187283 chebi:187283 GBTXLWIEBYUAPO-USYZEHPZSA-N	PA(22:0/21:0) [(2R)-2-henicosanoyloxy-3-phosphonooxypropyl] docosanoate
SLM:000025799 slm:000025799 GBTXLWIEBYUAPO-USYZEHPZSA-L	1-docosanoyl-2-heneicosanoyl-sn-glycero-3-phosphate PA(22:0/21:0) Phosphatidate (22:0/21:0)
hmdb:HMDB0115259 GBTXLWIEBYUAPO-USYZEHPZSA-N	PA(22:0/21:0) (2R)-3-(docosanoyloxy)-2-(henicosanoyloxy)propoxyphosphonic acid 1-behenoyl-2-heneicosyloyl-sn-glycero-3-phosphate 1-behenoyl-2-heneicosyloyl-sn-phosphatidic acid PA(43:0) Phosphatidate(22:0/21:0) Phosphatidate(43:0) Phosphatidic acid(22:0/21:0) Phosphatidic acid(43:0) [(2R)-3-(docosanoyloxy)-2-(henicosanoyloxy)propoxy]phosphonic acid
lipidmaps:LMGP10010720 lipidmapsM:LMGP10010720 GBTXLWIEBYUAPO-USYZEHPZSA-N	PA(22:0/21:0) 1-docosanoyl-2-heneicosanoyl-glycero-3-phosphate PA 43:0 PA(21:0_22:0) PA(43:0)