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1-(11E-octadecenoyl)-2-nonadecanoyl-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM192639 Image of MNXM192639
referenceslm:000030486
formulaC42H82NO8P
global charge0
mol weight760.091
InChIKeyPYBDPIUEGBFBTA-NSEKTKDFSA-N
InChIInChI=1S/C42H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,40H,3-13,15,17-39,43H2,1-2H3,(H,46,47)/b16-14+/t40-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,40H,3-13,15,17-39,43H2,1-2H3,(H,46,47)/b16-14+/t40-/m1/s1 Image of MNXM192639
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][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[O:45])[O:51][C@H:40]([CH2:38][O:48][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])[CH2:39][O:50][P:52]([OH:46])(=[O:47])[O:49][CH2:37][CH2:36][NH2:43]
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
IdentifierDescription

SLM:000030486
slm:000030486
PYBDPIUEGBFBTA-NSEKTKDFSA-N
1-(11E-octadecenoyl)-2-nonadecanoyl-sn-glycero-3-phosphoethanolamine
PE(18:1(11E)/19:0)
Phosphatidylethanolamine (18:1(11E)/19:0)