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1-O-(13Z-docosenyl)-2-octacosanoyl-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1043607 Image of MNXM1043607
referenceslm:000735996
formulaC73H137NO8P
global charge-1
mol weight1187.872
InChIKeyLBKMEZLSXNEBNS-BZKAWJTESA-M
InChIInChI=1S/C73H138NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-41-44-47-50-53-56-59-62-65-73(76)82-71(69-79-67-63-60-57-54-51-48-45-42-40-33-31-29-26-23-20-17-14-11-8-5-2)70-81-83(77,78)80-68-66-74-72(75)64-61-58-55-52-49-46-43-27-24-21-18-15-12-9-6-3/h18,21,26-27,29,43,49,52,71H,4-17,19-20,22-25,28,30-42,44-48,50-51,53-70H2,1-3H3,(H,74,75)(H,77,78)/p-1/b21-18-,29-26-,43-27-,52-49-/t71-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C73H138NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-41-44-47-50-53-56-59-62-65-73(76)82-71(69-79-67-63-60-57-54-51-48-45-42-40-33-31-29-26-23-20-17-14-11-8-5-2)70-81-83(77,78)80-68-66-74-72(75)64-61-58-55-52-49-46-43-27-24-21-18-15-12-9-6-3/h18,21,26-27,29,43,49,52,71H,4-17,19-20,22-25,28,30-42,44-48,50-51,53-70H2,1-3H3,(H,74,75)(H,77,78)/b21-18-,29-26-,43-27-,52-49-/t71-/m1/s1 Image of MNXM1043607
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:32][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][C:73](=[O:76])[O:82][C@H:71]([CH2:69][O:79][CH2:67][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:40][CH2:33][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:70][O:81][P:83]([OH:77])(=[O:78])[O:80][CH2:68][CH2:66][N:74]=[C:72]([CH2:64][CH2:61][CH2:58][CH2:55]/[CH:52]=[CH:49]\[CH2:46]/[CH:43]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:75]
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:000735996
slm:000735996
LBKMEZLSXNEBNS-BZKAWJTESA-M
1-O-(13Z-docosenyl)-2-octacosanoyl-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine
N-(6Z,9Z,12Z-octadecatrienoyl)-1-O-(13Z-docosenyl)-2-octacosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-22:1(13Z)/28:0/18:3(6Z,9Z,12Z))