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1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM964443 Image of MNXM964443
referenceslm:000656828
formulaC64H117NO9P
global charge-1
mol weight1075.612
InChIKeyFJPYZFWBOVRFSC-USJLHGMGSA-M
InChIInChI=1S/C64H118NO9P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-42-46-50-54-63(67)71-58-61(74-64(68)55-51-47-43-39-40-44-48-52-60(3)4)59-73-75(69,70)72-57-56-65-62(66)53-49-45-41-37-35-33-31-20-18-16-14-12-10-8-6-2/h13,15,19,21,23-24,26-27,60-61H,5-12,14,16-18,20,22,25,28-59H2,1-4H3,(H,65,66)(H,69,70)/p-1/b15-13-,21-19-,24-23-,27-26-/t61-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C64H118NO9P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-42-46-50-54-63(67)71-58-61(74-64(68)55-51-47-43-39-40-44-48-52-60(3)4)59-73-75(69,70)72-57-56-65-62(66)53-49-45-41-37-35-33-31-20-18-16-14-12-10-8-6-2/h13,15,19,21,23-24,26-27,60-61H,5-12,14,16-18,20,22,25,28-59H2,1-4H3,(H,65,66)(H,69,70)/b15-13-,21-19-,24-23-,27-26-/t61-/m1/s1 Image of MNXM964443
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][C:63](=[O:67])[O:71][CH2:58][C@H:61]([CH2:59][O:73][P:75]([OH:69])(=[O:70])[O:72][CH2:57][CH2:56][N:65]=[C:62]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:35][CH2:33][CH2:31][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:66])[O:74][C:64]([CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:40][CH2:44][CH2:48][CH2:52][CH:60]([CH3:3])[CH3:4])=[O:68]
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:000656828
slm:000656828
FJPYZFWBOVRFSC-USJLHGMGSA-M
1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phosphoethanolamine
NAPE (28:4(13Z,16Z,19Z,22Z)/13:0-11me/18:0)