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1-O-(1Z-triacontenyl)-2-heneicosanoyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1018627 Image of MNXM1018627
referenceslm:000711016
formulaC74H145NO8P
global charge-1
mol weight1207.947
InChIKeySTJLQFRNVDCMGQ-DWAMHWJGSA-M
InChIInChI=1S/C74H146NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-43-46-49-52-55-58-61-64-68-80-70-72(83-74(77)66-63-60-57-54-51-48-45-42-31-29-26-23-20-17-14-11-8-5-2)71-82-84(78,79)81-69-67-75-73(76)65-62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3/h64,68,72H,4-63,65-67,69-71H2,1-3H3,(H,75,76)(H,78,79)/p-1/b68-64-/t72-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C74H146NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-43-46-49-52-55-58-61-64-68-80-70-72(83-74(77)66-63-60-57-54-51-48-45-42-31-29-26-23-20-17-14-11-8-5-2)71-82-84(78,79)81-69-67-75-73(76)65-62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3/h64,68,72H,4-63,65-67,69-71H2,1-3H3,(H,75,76)(H,78,79)/b68-64-/t72-/m1/s1 Image of MNXM1018627
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][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61]/[CH:64]=[CH:68]\[O:80][CH2:70][C@H:72]([CH2:71][O:82][P:84]([OH:78])(=[O:79])[O:81][CH2:69][CH2:67][N:75]=[C:73]([CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:76])[O:83][C:74]([CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:77]
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:000711016
slm:000711016
STJLQFRNVDCMGQ-DWAMHWJGSA-M
1-O-(1Z-triacontenyl)-2-heneicosanoyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-O-(1Z-triacontenyl)-2-heneicosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (P-30:0/21:0/18:0)