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1-O-(9Z,12Z-octadecadienyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1045497 Image of MNXM1045497
referenceslm:000737886
formulaC61H109NO8P
global charge-1
mol weight1015.516
InChIKeyIXXVDSHJOHNFGL-GGADAMMGSA-M
InChIInChI=1S/C61H110NO8P/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/h17-18,20-21,25-29,31,37,40,59H,4-16,19,22-24,30,32-36,38-39,41-58H2,1-3H3,(H,62,63)(H,65,66)/p-1/b20-17-,21-18-,28-25-,29-26-,31-27-,40-37-/t59-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C61H110NO8P/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/h17-18,20-21,25-29,31,37,40,59H,4-16,19,22-24,30,32-36,38-39,41-58H2,1-3H3,(H,62,63)(H,65,66)/b20-17-,21-18-,28-25-,29-26-,31-27-,40-37-/t59-/m1/s1 Image of MNXM1045497
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:30][CH2:32][CH2:35][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]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[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][CH2:43]/[CH:40]=[CH:37]\[CH2:34]/[CH:31]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][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:000737886
slm:000737886
IXXVDSHJOHNFGL-GGADAMMGSA-M
1-O-(9Z,12Z-octadecadienyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine
N-(6Z,9Z,12Z-octadecatrienoyl)-1-O-(9Z,12Z-octadecadienyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-18:2(9Z,12Z)/20:1(11Z)/18:3(6Z,9Z,12Z))