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1-O-(1Z,13Z-octadecadienyl)-2-butanoyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1024614 Image of MNXM1024614
referenceslm:000717003
formulaC35H65NO8P
global charge-1
mol weight658.878
InChIKeyNBPNODQQOVBXGL-LMMMGCHGSA-M
InChIInChI=1S/C35H66NO8P/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-29-41-31-33(44-35(38)26-6-3)32-43-45(39,40)42-30-28-36-34(37)27-24-22-10-8-5-2/h11-12,25,29,33H,4-10,13-24,26-28,30-32H2,1-3H3,(H,36,37)(H,39,40)/p-1/b12-11-,29-25-/t33-/m1/s1
SMILESCCCC/C=C\CCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCC
MNX internals
InChI (mnx)InChI=1/C35H66NO8P/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-29-41-31-33(44-35(38)26-6-3)32-43-45(39,40)42-30-28-36-34(37)27-24-22-10-8-5-2/h11-12,25,29,33H,4-10,13-24,26-28,30-32H2,1-3H3,(H,36,37)(H,39,40)/b12-11-,29-25-/t33-/m1/s1 Image of MNXM1024614
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23]/[CH:25]=[CH:29]\[O:41][CH2:31][C@H:33]([CH2:32][O:43][P:45]([OH:39])(=[O:40])[O:42][CH2:30][CH2:28][N:36]=[C:34]([CH2:27][CH2:24][CH2:22][CH2:10][CH2:8][CH2:5][CH3:2])[OH:37])[O:44][C:35]([CH2:26][CH2:6][CH3:3])=[O:38]
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:000717003
slm:000717003
NBPNODQQOVBXGL-LMMMGCHGSA-M
1-O-(1Z,13Z-octadecadienyl)-2-butanoyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(1Z,13Z-octadecadienyl)-2-butanoyl-sn-glycero-3-phosphoethanolamine
NAPE (P-18:1(13Z)/4:0/8:0)