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1-O-hexadecyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1029917 Image of MNXM1029917
referenceslm:000722306
formulaC61H113NO8P
global charge-1
mol weight1019.548
InChIKeyORGVXWJDFUBUCP-XCSHQSBWSA-M
InChIInChI=1S/C61H114NO8P/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-35-38-41-44-47-50-53-61(64)70-59(57-67-55-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)58-69-71(65,66)68-56-54-62-60(63)52-49-46-43-40-37-34-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,30-31,59H,4-15,17-18,21-22,24,26-27,29,32-58H2,1-3H3,(H,62,63)(H,65,66)/p-1/b19-16-,23-20-,28-25-,31-30-/t59-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C61H114NO8P/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-35-38-41-44-47-50-53-61(64)70-59(57-67-55-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)58-69-71(65,66)68-56-54-62-60(63)52-49-46-43-40-37-34-32-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,28,30-31,59H,4-15,17-18,21-22,24,26-27,29,32-58H2,1-3H3,(H,62,63)(H,65,66)/b19-16-,23-20-,28-25-,31-30-/t59-/m1/s1 Image of MNXM1029917
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:33][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][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[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][CH2:32][CH2:26]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[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:000722306
slm:000722306
ORGVXWJDFUBUCP-XCSHQSBWSA-M
1-O-hexadecyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine
N-(11Z-octadecenoyl)-1-O-hexadecyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-16:0/22:3(10Z,13Z,16Z)/18:1(11Z))