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1-O-(13Z-docosenyl)-2-(11E-octadecenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1044292 Image of MNXM1044292
referenceslm:000736681
formulaC63H117NO8P
global charge-1
mol weight1047.602
InChIKeyLZQVGAKXTYAMLJ-GEYMKFGKSA-M
InChIInChI=1S/C63H118NO8P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-35-38-41-44-47-50-53-57-69-59-61(72-63(66)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)60-71-73(67,68)70-58-56-64-62(65)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,33,61H,4-16,18-19,22-23,27,29-32,34-60H2,1-3H3,(H,64,65)(H,67,68)/p-1/b20-17-,24-21+,28-25-,33-26-/t61-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C/CCCCCC
MNX internals
InChI (mnx)InChI=1/C63H118NO8P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-35-38-41-44-47-50-53-57-69-59-61(72-63(66)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)60-71-73(67,68)70-58-56-64-62(65)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h17,20-21,24-26,28,33,61H,4-16,18-19,22-23,27,29-32,34-60H2,1-3H3,(H,64,65)(H,67,68)/b20-17-,24-21+,28-25-,33-26-/t61-/m1/s1 Image of MNXM1044292
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][CH2:31][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:57][O:69][CH2:59][C@H:61]([CH2:60][O:71][P:73]([OH:67])(=[O:68])[O:70][CH2:58][CH2:56][N:64]=[C:62]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36]/[CH:33]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:65])[O:72][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66]
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:000736681
slm:000736681
LZQVGAKXTYAMLJ-GEYMKFGKSA-M
1-O-(13Z-docosenyl)-2-(11E-octadecenoyl)-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine
N-(9Z,12Z-octadecadienoyl)-1-O-(13Z-docosenyl)-2-(11E-octadecenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-22:1(13Z)/18:1(11E)/18:2(9Z,12Z))