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1-O-(13Z-octadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1046362 Image of MNXM1046362
referenceslm:000738751
formulaC61H107NO8P
global charge-1
mol weight1013.5
InChIKeyLDUOMKCVACUUNI-TXFRFMFUSA-M
InChIInChI=1S/C61H108NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-61(64)70-59(57-67-55-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)58-69-71(65,66)68-56-54-62-60(63)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,14,16-19,21,25,27-28,31-32,35,59H,4-8,10-11,13,15,20,22-24,26,29-30,33-34,36-58H2,1-3H3,(H,62,63)(H,65,66)/p-1/b12-9-,17-14-,19-16-,21-18-,28-25-,31-27-,35-32-/t59-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCC/C=C\CCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C61H108NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-61(64)70-59(57-67-55-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)58-69-71(65,66)68-56-54-62-60(63)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,14,16-19,21,25,27-28,31-32,35,59H,4-8,10-11,13,15,20,22-24,26,29-30,33-34,36-58H2,1-3H3,(H,62,63)(H,65,66)/b12-9-,17-14-,19-16-,21-18-,28-25-,31-27-,35-32-/t59-/m1/s1 Image of MNXM1046362
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:35]\[CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:61](=[O:64])[O:70][C@H:59]([CH2:57][O:67][CH2:55][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:29][CH2:26][CH2:23][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])[CH2:58][O:69][P:71]([OH:65])(=[O:66])[O:68][CH2:56][CH2:54][N:62]=[C:60]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:31]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])[OH:63]
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:000738751
slm:000738751
LDUOMKCVACUUNI-TXFRFMFUSA-M
1-O-(13Z-octadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine
N-(9Z,12Z,15Z-octadecatrienoyl)-1-O-(13Z-octadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-18:1(13Z)/20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))