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1-O-(1Z,11Z-eicosadienyl)-2-propionyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1021072 Image of MNXM1021072
referenceslm:000713461
formulaC36H67NO8P
global charge-1
mol weight672.905
InChIKeyGAVHBJZZFBUKDC-LIDVIDFKSA-M
InChIInChI=1S/C36H68NO8P/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30-42-32-34(45-36(39)6-3)33-44-46(40,41)43-31-29-37-35(38)28-26-24-10-8-5-2/h15-16,27,30,34H,4-14,17-26,28-29,31-33H2,1-3H3,(H,37,38)(H,40,41)/p-1/b16-15-,30-27-/t34-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CC
MNX internals
InChI (mnx)InChI=1/C36H68NO8P/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30-42-32-34(45-36(39)6-3)33-44-46(40,41)43-31-29-37-35(38)28-26-24-10-8-5-2/h15-16,27,30,34H,4-14,17-26,28-29,31-33H2,1-3H3,(H,37,38)(H,40,41)/b16-15-,30-27-/t34-/m1/s1 Image of MNXM1021072
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:9][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][CH2:25]/[CH:27]=[CH:30]\[O:42][CH2:32][C@H:34]([CH2:33][O:44][P:46]([OH:40])(=[O:41])[O:43][CH2:31][CH2:29][N:37]=[C:35]([CH2:28][CH2:26][CH2:24][CH2:10][CH2:8][CH2:5][CH3:2])[OH:38])[O:45][C:36]([CH2:6][CH3:3])=[O:39]
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:000713461
slm:000713461
GAVHBJZZFBUKDC-LIDVIDFKSA-M
1-O-(1Z,11Z-eicosadienyl)-2-propionyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(1Z,11Z-eicosadienyl)-2-propionyl-sn-glycero-3-phosphoethanolamine
NAPE (P-20:1(11Z)/3:0/8:0)