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1-(6Z,9Z,12Z-octadecatrienoyl)-2-hexanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM955256 Image of MNXM955256
referenceslm:000647641
formulaC41H73NO9P
global charge-1
mol weight755.007
InChIKeyAGRCESRMVXUOBR-URCUJDDKSA-M
InChIInChI=1S/C41H74NO9P/c1-4-7-10-12-14-16-17-18-19-20-21-23-25-27-30-32-40(44)48-36-38(51-41(45)33-28-9-6-3)37-50-52(46,47)49-35-34-42-39(43)31-29-26-24-22-15-13-11-8-5-2/h14,16,18-19,21,23,38H,4-13,15,17,20,22,24-37H2,1-3H3,(H,42,43)(H,46,47)/p-1/b16-14-,19-18-,23-21-/t38-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCC
MNX internals
InChI (mnx)InChI=1/C41H74NO9P/c1-4-7-10-12-14-16-17-18-19-20-21-23-25-27-30-32-40(44)48-36-38(51-41(45)33-28-9-6-3)37-50-52(46,47)49-35-34-42-39(43)31-29-26-24-22-15-13-11-8-5-2/h14,16,18-19,21,23,38H,4-13,15,17,20,22,24-37H2,1-3H3,(H,42,43)(H,46,47)/b16-14-,19-18-,23-21-/t38-/m1/s1 Image of MNXM955256
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:23]\[CH2:25][CH2:27][CH2:30][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][CH2:29][CH2:26][CH2:24][CH2:22][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])[OH:43])[O:51][C:41]([CH2:33][CH2:28][CH2:9][CH2:6][CH3:3])=[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:000647641
slm:000647641
AGRCESRMVXUOBR-URCUJDDKSA-M
1-(6Z,9Z,12Z-octadecatrienoyl)-2-hexanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-(6Z,9Z,12Z-octadecatrienoyl)-2-hexanoyl-sn-glycero-3-phosphoethanolamine
NAPE (18:3(6Z,9Z,12Z)/6:0/12:0)