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1-O-(1Z,9Z-octadecadienyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1020850 Image of MNXM1020850
referenceslm:000713239
formulaC51H95NO8P
global charge-1
mol weight881.294
InChIKeyDLYNHMWQGWOKSI-PMSINWAWSA-M
InChIInChI=1S/C51H96NO8P/c1-4-7-10-13-16-19-21-23-24-25-27-29-32-35-38-41-45-57-47-49(60-51(54)43-40-37-34-31-28-26-22-20-17-14-11-8-5-2)48-59-61(55,56)58-46-44-52-50(53)42-39-36-33-30-18-15-12-9-6-3/h23-24,28,31,41,45,49H,4-22,25-27,29-30,32-40,42-44,46-48H2,1-3H3,(H,52,53)(H,55,56)/p-1/b24-23-,31-28-,45-41-/t49-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCC/C=C\CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H96NO8P/c1-4-7-10-13-16-19-21-23-24-25-27-29-32-35-38-41-45-57-47-49(60-51(54)43-40-37-34-31-28-26-22-20-17-14-11-8-5-2)48-59-61(55,56)58-46-44-52-50(53)42-39-36-33-30-18-15-12-9-6-3/h23-24,28,31,41,45,49H,4-22,25-27,29-30,32-40,42-44,46-48H2,1-3H3,(H,52,53)(H,55,56)/b24-23-,31-28-,45-41-/t49-/m1/s1 Image of MNXM1020850
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21]/[CH:23]=[CH:24]\[CH2:25][CH2:27][CH2:29][CH2:32][CH2:35][CH2:38]/[CH:41]=[CH:45]\[O:57][CH2:47][C@H:49]([CH2:48][O:59][P:61]([OH:55])(=[O:56])[O:58][CH2:46][CH2:44][N:52]=[C:50]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:53])[O:60][C:51]([CH2:43][CH2:40][CH2:37][CH2:34]/[CH:31]=[CH:28]\[CH2:26][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54]
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:000713239
slm:000713239
DLYNHMWQGWOKSI-PMSINWAWSA-M
1-O-(1Z,9Z-octadecadienyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-O-(1Z,9Z-octadecadienyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-18:1(9Z)/16:1(6Z)/12:0)