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1-O-(1Z,11Z-eicosadienyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1021322 Image of MNXM1021322
referenceslm:000713711
formulaC61H107NO8P
global charge-1
mol weight1013.5
InChIKeySTIOIWNJPFSXOZ-BSYSMVHFSA-M
InChIInChI=1S/C61H108NO8P/c1-4-7-10-13-16-19-22-25-28-29-30-33-36-39-42-45-48-51-55-67-57-59(70-61(64)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)58-69-71(65,66)68-56-54-62-60(63)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,31-32,38,41,51,55,59H,4-8,10-11,13-17,19-20,22-24,29-30,33-37,39-40,42-50,52-54,56-58H2,1-3H3,(H,62,63)(H,65,66)/p-1/b12-9-,21-18-,28-25-,31-26-,32-27-,41-38-,55-51-/t59-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO/C=C\CCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C61H108NO8P/c1-4-7-10-13-16-19-22-25-28-29-30-33-36-39-42-45-48-51-55-67-57-59(70-61(64)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)58-69-71(65,66)68-56-54-62-60(63)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-28,31-32,38,41,51,55,59H,4-8,10-11,13-17,19-20,22-24,29-30,33-37,39-40,42-50,52-54,56-58H2,1-3H3,(H,62,63)(H,65,66)/b12-9-,21-18-,28-25-,31-26-,32-27-,41-38-,55-51-/t59-/m1/s1 Image of MNXM1021322
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:29][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48]/[CH:51]=[CH:55]\[O:67][CH2:57][C@H:59]([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:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:63])[O:70][C:61]([CH2:53][CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:32]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:64]
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:000713711
slm:000713711
STIOIWNJPFSXOZ-BSYSMVHFSA-M
1-O-(1Z,11Z-eicosadienyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine
N-(9Z-octadecenoyl)-1-O-(1Z,11Z-eicosadienyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))