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1-O-(1Z,13Z-docosadienyl)-2-docosanoyl-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1022400 Image of MNXM1022400
referenceslm:000714789
formulaC67H127NO8P
global charge-1
mol weight1105.726
InChIKeyVXYKRPXWHDPJQY-OMVYMGNMSA-M
InChIInChI=1S/C67H128NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-42-45-48-51-54-57-61-73-63-65(76-67(70)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2)64-75-77(71,72)74-62-60-68-66(69)58-55-52-49-46-43-40-37-27-24-21-18-15-12-9-6-3/h25,27-28,37,57,61,65H,4-24,26,29-36,38-56,58-60,62-64H2,1-3H3,(H,68,69)(H,71,72)/p-1/b28-25-,37-27-,61-57-/t65-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C67H128NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-42-45-48-51-54-57-61-73-63-65(76-67(70)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2)64-75-77(71,72)74-62-60-68-66(69)58-55-52-49-46-43-40-37-27-24-21-18-15-12-9-6-3/h25,27-28,37,57,61,65H,4-24,26,29-36,38-56,58-60,62-64H2,1-3H3,(H,68,69)(H,71,72)/b28-25-,37-27-,61-57-/t65-/m1/s1 Image of MNXM1022400
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][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54]/[CH:57]=[CH:61]\[O:73][CH2:63][C@H:65]([CH2:64][O:75][P:77]([OH:71])(=[O:72])[O:74][CH2:62][CH2:60][N:68]=[C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40]/[CH:37]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:69])[O:76][C:67]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70]
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:000714789
slm:000714789
VXYKRPXWHDPJQY-OMVYMGNMSA-M
1-O-(1Z,13Z-docosadienyl)-2-docosanoyl-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine
N-(9Z-octadecenoyl)-1-O-(1Z,13Z-docosadienyl)-2-docosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (P-22:1(13Z)/22:0/18:1(9Z))