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1-(8Z,11Z,14Z-eicosatrienoyl)-2-decanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM956457 Image of MNXM956457
referenceslm:000648842
formulaC41H73NO9P
global charge-1
mol weight755.007
InChIKeyPOZVOLSFNMMYPN-ICPIGRDKSA-M
InChIInChI=1S/C41H74NO9P/c1-4-7-10-12-14-15-16-17-18-19-20-21-22-23-25-26-29-32-40(44)48-36-38(51-41(45)33-30-27-24-13-11-8-5-2)37-50-52(46,47)49-35-34-42-39(43)31-28-9-6-3/h14-15,17-18,20-21,38H,4-13,16,19,22-37H2,1-3H3,(H,42,43)(H,46,47)/p-1/b15-14-,18-17-,21-20-/t38-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C41H74NO9P/c1-4-7-10-12-14-15-16-17-18-19-20-21-22-23-25-26-29-32-40(44)48-36-38(51-41(45)33-30-27-24-13-11-8-5-2)37-50-52(46,47)49-35-34-42-39(43)31-28-9-6-3/h14-15,17-18,20-21,38H,4-13,16,19,22-37H2,1-3H3,(H,42,43)(H,46,47)/b15-14-,18-17-,21-20-/t38-/m1/s1 Image of MNXM956457
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:25][CH2:26][CH2:29][CH2:32][C:40](=[O:44])[O:48][CH2:36][C@H:38]([CH2:37][O:50][P:52]([OH:46])(=[O:47])[O:49][CH2:35][CH2:34][N:42]=[C:39]([CH2:31][CH2:28][CH2:9][CH2:6][CH3:3])[OH:43])[O:51][C:41]([CH2:33][CH2:30][CH2:27][CH2:24][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:000648842
slm:000648842
POZVOLSFNMMYPN-ICPIGRDKSA-M
1-(8Z,11Z,14Z-eicosatrienoyl)-2-decanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-(8Z,11Z,14Z-eicosatrienoyl)-2-decanoyl-sn-glycero-3-phosphoethanolamine
NAPE (20:3(8Z,11Z,14Z)/10:0/6:0)