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

PropertiesImage
MNX_IDMNXM1021183 Image of MNXM1021183
referenceslm:000713572
formulaC49H93NO8P
global charge-1
mol weight855.256
InChIKeyKVXZVXPESALZFJ-FOLZOYFDSA-M
InChIInChI=1S/C49H94NO8P/c1-4-7-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-39-43-55-45-47(46-57-59(53,54)56-44-42-50-48(51)40-37-9-6-3)58-49(52)41-38-35-33-31-29-27-25-21-19-17-15-13-11-8-5-2/h20,22,39,43,47H,4-19,21,23-38,40-42,44-46H2,1-3H3,(H,50,51)(H,53,54)/p-1/b22-20-,43-39-/t47-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C49H94NO8P/c1-4-7-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-39-43-55-45-47(46-57-59(53,54)56-44-42-50-48(51)40-37-9-6-3)58-49(52)41-38-35-33-31-29-27-25-21-19-17-15-13-11-8-5-2/h20,22,39,43,47H,4-19,21,23-38,40-42,44-46H2,1-3H3,(H,50,51)(H,53,54)/b22-20-,43-39-/t47-/m1/s1 Image of MNXM1021183
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36]/[CH:39]=[CH:43]\[O:55][CH2:45][C@H:47]([CH2:46][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:44][CH2:42][N:50]=[C:48]([CH2:40][CH2:37][CH2:9][CH2:6][CH3:3])[OH:51])[O:58][C:49]([CH2:41][CH2:38][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:52]
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:000713572
slm:000713572
KVXZVXPESALZFJ-FOLZOYFDSA-M
1-O-(1Z,11Z-eicosadienyl)-2-octadecanoyl-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-O-(1Z,11Z-eicosadienyl)-2-octadecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (P-20:1(11Z)/18:0/6:0)