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1-O-(11Z-octadecenyl)-2-tridecanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1040909 Image of MNXM1040909
referenceslm:000733298
formulaC42H81NO8P
global charge-1
mol weight759.083
InChIKeyUDJQOEVVNYUBNB-KWNHIAGJSA-M
InChIInChI=1S/C42H82NO8P/c1-4-7-10-12-14-16-18-19-20-21-22-23-25-27-29-32-36-48-38-40(51-42(45)34-31-28-26-24-17-15-13-11-8-5-2)39-50-52(46,47)49-37-35-43-41(44)33-30-9-6-3/h16,18,40H,4-15,17,19-39H2,1-3H3,(H,43,44)(H,46,47)/p-1/b18-16-/t40-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H82NO8P/c1-4-7-10-12-14-16-18-19-20-21-22-23-25-27-29-32-36-48-38-40(51-42(45)34-31-28-26-24-17-15-13-11-8-5-2)39-50-52(46,47)49-37-35-43-41(44)33-30-9-6-3/h16,18,40H,4-15,17,19-39H2,1-3H3,(H,43,44)(H,46,47)/b18-16-/t40-/m1/s1 Image of MNXM1040909
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14]/[CH:16]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:32][CH2:36][O:48][CH2:38][C@H:40]([CH2:39][O:50][P:52]([OH:46])(=[O:47])[O:49][CH2:37][CH2:35][N:43]=[C:41]([CH2:33][CH2:30][CH2:9][CH2:6][CH3:3])[OH:44])[O:51][C:42]([CH2:34][CH2:31][CH2:28][CH2:26][CH2:24][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:45]
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:000733298
slm:000733298
UDJQOEVVNYUBNB-KWNHIAGJSA-M
1-O-(11Z-octadecenyl)-2-tridecanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-O-(11Z-octadecenyl)-2-tridecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-18:1(11Z)/13:0/6:0)