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

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PE(12:0/0:0)

	Properties	Image
MNX_ID	MNXM32692
reference	chebi:168574
formula	C₁₇H₃₆NO₇P
global charge	0
mol weight	397.449
InChIKey	IZDRGPDUDLWAGR-MRXNPFEDSA-N
InChI	InChI=1S/C17H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18/h16,19H,2-15,18H2,1H3,(H,21,22)/t16-/m1/s1
SMILES	CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN

MNX internals

InChI (mnx)	InChI=1/C17H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18/h16,19H,2-15,18H2,1H3,(H,21,22)/t16-/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][C:17](=[O:20])[O:23][CH2:14][C@H:16]([CH2:15][O:25][P:26]([OH:21])(=[O:22])[O:24][CH2:13][CH2:12][NH2:18])[OH:19]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168574 chebi:168574 IZDRGPDUDLWAGR-MRXNPFEDSA-N	PE(12:0/0:0) [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] dodecanoate
bigg.metabolite:1agpe120 biggM:1agpe120 vmhM:1agpe120 vmhmetabolite:1agpe120 IZDRGPDUDLWAGR-MRXNPFEDSA-N IZDRGPDUDLWAGR-UHFFFAOYSA-N	1-Acyl-sn-glycero-3-phosphoethanolamine (n-C12:0)
bigg.metabolite:pe12_hs biggM:pe12_hs vmhM:pe12_hs vmhmetabolite:pe12_hs IZDRGPDUDLWAGR-MRXNPFEDSA-N IZDRGPDUDLWAGR-UHFFFAOYSA-N	1-Didecanoylglycerophosphoethanolamine (C12:0 Pe)
seed.compound:cpd26432 seedM:cpd26432 IZDRGPDUDLWAGR-MRXNPFEDSA-N	1-acyl-sn-glycero-3-phosphoethanolamine (n-C12:0) 1-12:0-2-lysophosphatidylethanolamine 1-dodecanoyl-sn-glycero-3-phosphoethanolamine 1-lauroyl-sn-glycero-3-phosphoethanolamine
SLM:000030164 slm:000030164 IZDRGPDUDLWAGR-MRXNPFEDSA-N	1-dodecanoyl-sn-glycero-3-phosphoethanolamine PE(12:0/0:0)
metacyc.compound:CPD0-2148 metacycM:CPD0-2148 IZDRGPDUDLWAGR-MRXNPFEDSA-N	1-lauroyl-sn-glycero-3-phosphoethanolamine 1-12:0-2-lysophosphatidylethanolamine 1-dodecanoyl-sn-glycero-3-phosphoethanolamine
lipidmaps:LMGP02050005 lipidmapsM:LMGP02050005 IZDRGPDUDLWAGR-MRXNPFEDSA-N	PE(12:0/0:0) 1-Lauroyl-sn-glycero-3-phosphoethanolamine 1-dodecanoyl-sn-glycero-3-phosphoethanolamine Dodecanoic acid, 3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (R)- LPE 12:0 LPE(12:0)
biggM:M_1agpe120 biggM:M_pe12_hs seedM:M_cpd26432 vmhM:M_1agpe120 vmhM:M_pe12_hs	secondary/obsolete/fantasy identifier