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1-O-hexadecyl-2-acetyl-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1029300 Image of MNXM1029300
referenceslm:000721689
formulaC43H77NO8P
global charge-1
mol weight767.062
InChIKeyDJJPKHISOCKKBD-ZTRWGHEKSA-M
InChIInChI=1S/C43H78NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-43(46)44-36-38-50-53(47,48)51-40-42(52-41(3)45)39-49-37-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h12,14,18,20,22-23,27,29,42H,4-11,13,15-17,19,21,24-26,28,30-40H2,1-3H3,(H,44,46)(H,47,48)/p-1/b14-12-,20-18-,23-22-,29-27-/t42-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCCCC)OC(C)=O
MNX internals
InChI (mnx)InChI=1/C43H78NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-43(46)44-36-38-50-53(47,48)51-40-42(52-41(3)45)39-49-37-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h12,14,18,20,22-23,27,29,42H,4-11,13,15-17,19,21,24-26,28,30-40H2,1-3H3,(H,44,46)(H,47,48)/b14-12-,20-18-,23-22-,29-27-/t42-/m1/s1 Image of MNXM1029300
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][C:43](=[N:44][CH2:36][CH2:38][O:50][P:53]([OH:47])(=[O:48])[O:51][CH2:40][C@@H:42]([CH2:39][O:49][CH2:37][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[O:52][C:41]([CH3:3])=[O:45])[OH:46]
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:000721689
slm:000721689
DJJPKHISOCKKBD-ZTRWGHEKSA-M
1-O-hexadecyl-2-acetyl-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine
NAPE (O-16:0/2:0/20:4(5Z,8Z,11Z,14Z))