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1-O-(11-methyldodecyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1026376 Image of MNXM1026376
referenceslm:000718765
formulaC56H103NO8P
global charge-1
mol weight949.413
InChIKeyMSYJLBKAVITIQS-QCNZDLQRSA-M
InChIInChI=1S/C56H104NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-35-39-43-47-56(59)65-54(51-62-49-44-40-36-32-31-33-37-41-45-53(3)4)52-64-66(60,61)63-50-48-57-55(58)46-42-38-34-29-27-25-23-20-18-16-14-12-10-8-6-2/h13,15,19-21,23-24,26,53-54H,5-12,14,16-18,22,25,27-52H2,1-4H3,(H,57,58)(H,60,61)/p-1/b15-13-,21-19-,23-20-,26-24-/t54-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H104NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-35-39-43-47-56(59)65-54(51-62-49-44-40-36-32-31-33-37-41-45-53(3)4)52-64-66(60,61)63-50-48-57-55(58)46-42-38-34-29-27-25-23-20-18-16-14-12-10-8-6-2/h13,15,19-21,23-24,26,53-54H,5-12,14,16-18,22,25,27-52H2,1-4H3,(H,57,58)(H,60,61)/b15-13-,21-19-,23-20-,26-24-/t54-/m1/s1 Image of MNXM1026376
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:35][CH2:39][CH2:43][CH2:47][C:56](=[O:59])[O:65][C@H:54]([CH2:51][O:62][CH2:49][CH2:44][CH2:40][CH2:36][CH2:32][CH2:31][CH2:33][CH2:37][CH2:41][CH2:45][CH:53]([CH3:3])[CH3:4])[CH2:52][O:64][P:66]([OH:60])(=[O:61])[O:63][CH2:50][CH2:48][N:57]=[C:55]([CH2:46][CH2:42][CH2:38][CH2:34][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:58]
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:000718765
slm:000718765
MSYJLBKAVITIQS-QCNZDLQRSA-M
1-O-(11-methyldodecyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine
N-(9Z-octadecenoyl)-1-O-(11-methyldodecyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-13:0(11-me)/20:3(8Z,11Z,14Z)/18:1(9Z))