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

PropertiesImage
MNX_IDMNXM1042267 Image of MNXM1042267
referenceslm:000734656
formulaC37H71NO8P
global charge-1
mol weight688.948
InChIKeyQQPFCLYPTOWHMS-PBYDCGJFSA-M
InChIInChI=1S/C37H72NO8P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-31-43-33-35(46-37(40)29-26-9-6-3)34-45-47(41,42)44-32-30-38-36(39)28-25-8-5-2/h15-16,35H,4-14,17-34H2,1-3H3,(H,38,39)(H,41,42)/p-1/b16-15-/t35-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCC
MNX internals
InChI (mnx)InChI=1/C37H72NO8P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-31-43-33-35(46-37(40)29-26-9-6-3)34-45-47(41,42)44-32-30-38-36(39)28-25-8-5-2/h15-16,35H,4-14,17-34H2,1-3H3,(H,38,39)(H,41,42)/b16-15-/t35-/m1/s1 Image of MNXM1042267
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:27][CH2:31][O:43][CH2:33][C@H:35]([CH2:34][O:45][P:47]([OH:41])(=[O:42])[O:44][CH2:32][CH2:30][N:38]=[C:36]([CH2:28][CH2:25][CH2:8][CH2:5][CH3:2])[OH:39])[O:46][C:37]([CH2:29][CH2:26][CH2:9][CH2:6][CH3:3])=[O:40]
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:000734656
slm:000734656
QQPFCLYPTOWHMS-PBYDCGJFSA-M
1-O-(11Z-eicosenyl)-2-hexanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-O-(11Z-eicosenyl)-2-hexanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-20:1(11Z)/6:0/6:0)