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1-O-hexacosyl-2-eicosanoyl-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1036494 Image of MNXM1036494
referenceslm:000728883
formulaC69H133NO8P
global charge-1
mol weight1135.796
InChIKeyWNFSOHCVSUJOPK-QCXYVLBKSA-M
InChIInChI=1S/C69H134NO8P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-38-41-44-47-50-53-56-59-63-75-65-67(78-69(72)61-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)66-77-79(73,74)76-64-62-70-68(71)60-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3/h18,21,27,39,67H,4-17,19-20,22-26,28-38,40-66H2,1-3H3,(H,70,71)(H,73,74)/p-1/b21-18-,39-27-/t67-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C69H134NO8P/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-38-41-44-47-50-53-56-59-63-75-65-67(78-69(72)61-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2)66-77-79(73,74)76-64-62-70-68(71)60-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3/h18,21,27,39,67H,4-17,19-20,22-26,28-38,40-66H2,1-3H3,(H,70,71)(H,73,74)/b21-18-,39-27-/t67-/m1/s1 Image of MNXM1036494
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:63][O:75][CH2:65][C@H:67]([CH2:66][O:77][P:79]([OH:73])(=[O:74])[O:76][CH2:64][CH2:62][N:70]=[C:68]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71])[O:78][C:69]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:72]
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:000728883
slm:000728883
WNFSOHCVSUJOPK-QCXYVLBKSA-M
1-O-hexacosyl-2-eicosanoyl-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine
N-(9Z,12Z-octadecadienoyl)-1-O-hexacosyl-2-eicosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-26:0/20:0/18:2(9Z,12Z))