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1-O-(1Z,11Z-eicosadienyl)-2-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1021744 Image of MNXM1021744
referenceslm:000714133
formulaC61H109NO8P
global charge-1
mol weight1015.516
InChIKeyHQGCUHQUODBHIP-JAOMXEOWSA-M
InChIInChI=1S/C61H110NO8P/c1-4-7-10-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-36-38-40-42-44-47-50-53-61(64)70-59(58-69-71(65,66)68-56-54-62-60(63)52-49-46-12-9-6-3)57-67-55-51-48-45-43-41-39-37-35-26-24-22-20-18-16-14-11-8-5-2/h15,17,21-24,27-28,30-31,51,55,59H,4-14,16,18-20,25-26,29,32-50,52-54,56-58H2,1-3H3,(H,62,63)(H,65,66)/p-1/b17-15-,23-21-,24-22-,28-27-,31-30-,55-51-/t59-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C61H110NO8P/c1-4-7-10-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-36-38-40-42-44-47-50-53-61(64)70-59(58-69-71(65,66)68-56-54-62-60(63)52-49-46-12-9-6-3)57-67-55-51-48-45-43-41-39-37-35-26-24-22-20-18-16-14-11-8-5-2/h15,17,21-24,27-28,30-31,51,55,59H,4-14,16,18-20,25-26,29,32-50,52-54,56-58H2,1-3H3,(H,62,63)(H,65,66)/b17-15-,23-21-,24-22-,28-27-,31-30-,55-51-/t59-/m1/s1 Image of MNXM1021744
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:47][CH2:50][CH2:53][C:61](=[O:64])[O:70][C@H:59]([CH2:57][O:67]/[CH:55]=[CH:51]\[CH2:48][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:26]/[CH:24]=[CH:22]\[CH2:20][CH2:18][CH2:16][CH2:14][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][CH2:12][CH2:9][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:000714133
slm:000714133
HQGCUHQUODBHIP-JAOMXEOWSA-M
1-O-(1Z,11Z-eicosadienyl)-2-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(1Z,11Z-eicosadienyl)-2-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-20:1(11Z)/28:4(13Z,16Z,19Z,22Z)/8:0)