1-oleoyl-sn-glycero-3-phosphoethanolamine

AlkaPlorer ID: AK004460

Synonym: '1-18:1-lysophosphatidylethanolamine', '1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine', 'Lysophosphatidylethanolamine(18:1omega9/0:0)', 'LysoPE(18:1/0:0)', 'Lyso-PE(18:1)', 'LPE(18:1)', '1-(9Z)-octadecenoyl-sn-glycero-3-phosphoethanolamine', 'PE(18:1/0:0)', 'LPE(18:1omega9/0:0)', '1-18:1-lysoPE', 'LysoPE(18:1omega9/0:0)', 'LysoPE(18:1(9Z)/0:0)', 'Lyso-PE(18:1/0:0)', '(9Z-octadecenoyl)-lysophosphatidylethanolamine', 'PE(18:1(9Z)/0:0)', 'Lyso-PE(18:1omega9/0:0)', 'Lysophosphatidylethanolamine(18:1)', 'LysoPE(18:1)', 'LPE(18:1/0:0)', '1-C18:1(omega-9)-lysophosphatidylethanolamine', 'Lysophosphatidylethanolamine(18:1/0:0)'

IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate

Structure

SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN

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InChI: InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1

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InChIKey: PYVRVRFVLRNJLY-MZMPXXGTSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aphis gossypii Aphis Aphididae Hemiptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 479.5950000000002

TPSA: 128.31000000000003

MolLogP: 5.020300000000005

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mus musculus Mus musculus Activity None None 10.1016/j.bmc.2014.04.012
None Unchecked Activity None None 10.1016/j.bmc.2014.04.012

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT006703 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[CoA].CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN enzymemap_29942
AKRT007655 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[CoA].CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN 37495
AKRT007765 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN 44256
AKRT007833 CCCCC/C=C\C/C=C\CCCCCCCC(=O)[CoA].CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN 37503
AKRT007975 CCCCCC/C=C\CCCCCCCC(=O)[CoA].CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN>>CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN 42232
AKRT008209 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN.CCCCCCCC/C=C\CCCCCCCC(=O)[CoA]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC RXN-15036
AKRT008210 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN.CCCCCCCCCCCCCC(=O)[CoA]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC 42240
AKRT008211 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN.CCCCCCCCCCCCCCCC(=O)[CoA]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC 42236
AKRT008212 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN>>CCCCCCCC/C=C\CCCCCCCC(=O)O RXN-15035
AKRT008213 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O 38927
AKRT008214 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN>>NCCO 38927
AKRT008215 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN>>NCCOP(=O)(O)OC[C@H](O)CO RXN-15035
AKRT008254 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN RXN-15067
AKRT008256 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN 44248
AKRT008257 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN 44252