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1-O-tetracosyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1035744 Image of MNXM1035744
referenceslm:000728133
formulaC59H113NO8P
global charge-1
mol weight995.526
InChIKeyWDJXFWLXZXKZCS-AHTBDZDWSA-M
InChIInChI=1S/C59H114NO8P/c1-4-7-10-13-15-17-19-21-23-25-27-28-29-31-33-35-37-39-41-43-46-49-53-65-55-57(56-67-69(63,64)66-54-52-60-58(61)50-47-44-12-9-6-3)68-59(62)51-48-45-42-40-38-36-34-32-30-26-24-22-20-18-16-14-11-8-5-2/h16,18,22,24,57H,4-15,17,19-21,23,25-56H2,1-3H3,(H,60,61)(H,63,64)/p-1/b18-16-,24-22-/t57-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C59H114NO8P/c1-4-7-10-13-15-17-19-21-23-25-27-28-29-31-33-35-37-39-41-43-46-49-53-65-55-57(56-67-69(63,64)66-54-52-60-58(61)50-47-44-12-9-6-3)68-59(62)51-48-45-42-40-38-36-34-32-30-26-24-22-20-18-16-14-11-8-5-2/h16,18,22,24,57H,4-15,17,19-21,23,25-56H2,1-3H3,(H,60,61)(H,63,64)/b18-16-,24-22-/t57-/m1/s1 Image of MNXM1035744
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:46][CH2:49][CH2:53][O:65][CH2:55][C@H:57]([CH2:56][O:67][P:69]([OH:63])(=[O:64])[O:66][CH2:54][CH2:52][N:60]=[C:58]([CH2:50][CH2:47][CH2:44][CH2:12][CH2:9][CH2:6][CH3:3])[OH:61])[O:68][C:59]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:26]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62]
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:000728133
slm:000728133
WDJXFWLXZXKZCS-AHTBDZDWSA-M
1-O-tetracosyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-tetracosyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-24:0/22:2(13Z,16Z)/8:0)