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Phosphatidylethanolamine (dioctadec-11-enoyl, n-C18:1)

PropertiesImage
MNX_IDMNXM2150 Image of MNXM2150
referencebiggM:pe181
formulaC41H78NO8P
global charge0
mol weight744.048
InChIKeyFXSMMNUNFDTUMS-UHFFFAOYSA-N
InChIInChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39H,3-12,17-38,42H2,1-2H3,(H,45,46)
SMILESCCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCC=CCCCCCC
MNX internals
InChI (mnx)InChI=1/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39H,3-12,17-38,42H2,1-2H3,(H,45,46)/b15-13?,16-14?/t39? Image of MNXM2150
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:43])[O:47][CH2:37][CH:39]([CH2:38][O:49][P:51]([OH:45])(=[O:46])[O:48][CH2:36][CH2:35][NH2:42])[O:50][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH:16]=[CH:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)22
in models (compartimentalized) 24
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:pe181
biggM:pe181
FXSMMNUNFDTUMS-UHFFFAOYSA-N
Phosphatidylethanolamine (dioctadec-11-enoyl, n-C18:1)

vmhM:pe181
vmhmetabolite:pe181
FXSMMNUNFDTUMS-UHFFFAOYSA-N
phosphatidylethanolamine (dioctadec-11-enoyl, n-C18:1)

biggM:M_pe181
vmhM:M_pe181
secondary/obsolete/fantasy identifier