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1-O-(11Z-eicosenyl)-2-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1042971 Image of MNXM1042971
referenceslm:000735360
formulaC75H139NO8P
global charge-1
mol weight1213.91
InChIKeySZPDYNPSDHXXAH-YDOHXOJUSA-M
InChIInChI=1S/C75H140NO8P/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-52-55-58-61-64-67-75(78)84-73(71-81-69-65-62-59-56-53-50-48-46-29-27-25-23-20-17-14-11-8-5-2)72-83-85(79,80)82-70-68-76-74(77)66-63-60-57-54-51-21-18-15-12-9-6-3/h16,19,24-27,30-31,33-34,73H,4-15,17-18,20-23,28-29,32,35-72H2,1-3H3,(H,76,77)(H,79,80)/p-1/b19-16-,26-24-,27-25-,31-30-,34-33-/t73-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C75H140NO8P/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-52-55-58-61-64-67-75(78)84-73(71-81-69-65-62-59-56-53-50-48-46-29-27-25-23-20-17-14-11-8-5-2)72-83-85(79,80)82-70-68-76-74(77)66-63-60-57-54-51-21-18-15-12-9-6-3/h16,19,24-27,30-31,33-34,73H,4-15,17-18,20-23,28-29,32,35-72H2,1-3H3,(H,76,77)(H,79,80)/b19-16-,26-24-,27-25-,31-30-,34-33-/t73-/m1/s1 Image of MNXM1042971
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:47][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][C:75](=[O:78])[O:84][C@H:73]([CH2:71][O:81][CH2:69][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:48][CH2:46][CH2:29]/[CH:27]=[CH:25]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:72][O:83][P:85]([OH:79])(=[O:80])[O:82][CH2:70][CH2:68][N:76]=[C:74]([CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH: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:000735360
slm:000735360
SZPDYNPSDHXXAH-YDOHXOJUSA-M
1-O-(11Z-eicosenyl)-2-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-O-(11Z-eicosenyl)-2-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-20:1(11Z)/36:4(21Z,24Z,27Z,30Z)/14:0)