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

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Lysophosphatidic acid (homo sapiens)

MNXM32960 is deprecated and here replaced by MNXM734214
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM734214
reference	biggM:alpa_hs
formula	C₂₁H₄₁O₇P
global charge	0
mol weight	436.526
InChIKey	WRGQSWVCFNIUNZ-KTKRTIGZSA-N
InChI	InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)O

MNX internals

InChI (mnx)	InChI=1/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20?
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:21](=[O:23])[O:27][CH2:18][CH:20]([CH2:19][O:28][P:29]([OH:24])([OH:25])=[O:26])[OH:22]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:alpa_hs biggM:alpa_hs WRGQSWVCFNIUNZ-KTKRTIGZSA-N	Lysophosphatidic acid (homo sapiens)
hmdb:HMDB0007855 WRGQSWVCFNIUNZ-KTKRTIGZSA-N	LysoPA(18:1(9Z)/0:0) 1-(9Z-Octadecenoyl)-glycero-3-phosphate 1-(9Z-Octadecenoyl)-phosphatidic acid 1-O-Oleyllysophosphatidic acid 1-Oleoyl-glycero-3-phosphate 1-Oleoyl-lyso-phosphatidic acid 1-Oleoyl-lysophosphatidic acid 9-Octadecenoic acid (9Z)-, 2-hydroxy-3-(phosphonooxy)propyl ester LPA (lysophosphatidic acid) LPA(18:1(9Z)/0:0) LPA(18:1) LPA(18:1/0:0) Lysophosphatidic acid Lysophosphatidic acid(18:1) Lysophosphatidic acid(18:1/0:0) MOPA Monooleylphosphatidate Monooleylphosphatidic acid Monooleylphosphatidic acid, (R)-isomer Monooleylphosphatidic acid, sodium salt, (R)-isomer lysophosphatidic acid {2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy}phosphonic acid
vmhM:alpa_hs vmhmetabolite:alpa_hs WRGQSWVCFNIUNZ-KTKRTIGZSA-L	Lysophosphatidic Acid {2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy}phosphonic acid
hmdb:HMDB0000443 hmdb:HMDB00443 hmdb:HMDB07855 biggM:M_alpa_hs vmhM:M_alpa_hs	secondary/obsolete/fantasy identifier