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1-O-(9Z-octadecenyl)-2-decanoyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1041120 Image of MNXM1041120
referenceslm:000733509
formulaC41H79NO8P
global charge-1
mol weight745.056
InChIKeyIBOJUFWXFBOECJ-OZQCKNKTSA-M
InChIInChI=1S/C41H80NO8P/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-25-28-31-35-47-37-39(50-41(44)33-30-27-24-14-11-8-5-2)38-49-51(45,46)48-36-34-42-40(43)32-29-26-12-9-6-3/h18-19,39H,4-17,20-38H2,1-3H3,(H,42,43)(H,45,46)/p-1/b19-18-/t39-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC)OC(=O)CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C41H80NO8P/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-25-28-31-35-47-37-39(50-41(44)33-30-27-24-14-11-8-5-2)38-49-51(45,46)48-36-34-42-40(43)32-29-26-12-9-6-3/h18-19,39H,4-17,20-38H2,1-3H3,(H,42,43)(H,45,46)/b19-18-/t39-/m1/s1 Image of MNXM1041120
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:28][CH2:31][CH2:35][O:47][CH2:37][C@H:39]([CH2:38][O:49][P:51]([OH:45])(=[O:46])[O:48][CH2:36][CH2:34][N:42]=[C:40]([CH2:32][CH2:29][CH2:26][CH2:12][CH2:9][CH2:6][CH3:3])[OH:43])[O:50][C:41]([CH2:33][CH2:30][CH2:27][CH2:24][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:44]
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:000733509
slm:000733509
IBOJUFWXFBOECJ-OZQCKNKTSA-M
1-O-(9Z-octadecenyl)-2-decanoyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(9Z-octadecenyl)-2-decanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-18:1(9Z)/10:0/8:0)