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1-(13Z,16Z-docosadienoyl)-2-octacosanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM954234 Image of MNXM954234
referenceslm:000646619
formulaC67H127NO9P
global charge-1
mol weight1121.725
InChIKeyLFHSEDHFKOMPOM-WAEOIYLYSA-M
InChIInChI=1S/C67H128NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-30-31-32-33-34-36-38-40-42-44-47-50-53-56-59-67(71)77-64(63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-18-15-12-9-6-3)62-74-66(70)58-55-52-49-46-43-41-39-37-35-28-26-24-22-20-17-14-11-8-5-2/h17,20,24,26,64H,4-16,18-19,21-23,25,27-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b20-17-,26-24-/t64-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C67H128NO9P/c1-4-7-10-13-16-19-21-23-25-27-29-30-31-32-33-34-36-38-40-42-44-47-50-53-56-59-67(71)77-64(63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-18-15-12-9-6-3)62-74-66(70)58-55-52-49-46-43-41-39-37-35-28-26-24-22-20-17-14-11-8-5-2/h17,20,24,26,64H,4-16,18-19,21-23,25,27-63H2,1-3H3,(H,68,69)(H,72,73)/b20-17-,26-24-/t64-/m1/s1 Image of MNXM954234
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:67](=[O:71])[O:77][C@H:64]([CH2:62][O:74][C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70])[CH2:63][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:61][CH2:60][N:68]=[C:65]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:69]
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:000646619
slm:000646619
LFHSEDHFKOMPOM-WAEOIYLYSA-M
1-(13Z,16Z-docosadienoyl)-2-octacosanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-(13Z,16Z-docosadienoyl)-2-octacosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (22:2(13Z,16Z)/28:0/12:0)