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1-O-(11-methyldodecyl)-2-dodecanoyl-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1025858 Image of MNXM1025858
referenceslm:000718247
formulaC48H93NO8P
global charge-1
mol weight843.245
InChIKeyHZRPMYLSKMFLFS-CMXJXHBSSA-M
InChIInChI=1S/C48H94NO8P/c1-5-7-9-11-13-15-16-17-18-19-20-22-26-30-34-38-47(50)49-40-42-55-58(52,53)56-44-46(57-48(51)39-35-31-27-21-14-12-10-8-6-2)43-54-41-36-32-28-24-23-25-29-33-37-45(3)4/h17-18,45-46H,5-16,19-44H2,1-4H3,(H,49,50)(H,52,53)/p-1/b18-17-/t46-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C48H94NO8P/c1-5-7-9-11-13-15-16-17-18-19-20-22-26-30-34-38-47(50)49-40-42-55-58(52,53)56-44-46(57-48(51)39-35-31-27-21-14-12-10-8-6-2)43-54-41-36-32-28-24-23-25-29-33-37-45(3)4/h17-18,45-46H,5-16,19-44H2,1-4H3,(H,49,50)(H,52,53)/b18-17-/t46-/m1/s1 Image of MNXM1025858
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:22][CH2:26][CH2:30][CH2:34][CH2:38][C:47](=[N:49][CH2:40][CH2:42][O:55][P:58]([OH:52])(=[O:53])[O:56][CH2:44][C@@H:46]([CH2:43][O:54][CH2:41][CH2:36][CH2:32][CH2:28][CH2:24][CH2:23][CH2:25][CH2:29][CH2:33][CH2:37][CH:45]([CH3:3])[CH3:4])[O:57][C:48]([CH2:39][CH2:35][CH2:31][CH2:27][CH2:21][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:51])[OH:50]
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:000718247
slm:000718247
HZRPMYLSKMFLFS-CMXJXHBSSA-M
1-O-(11-methyldodecyl)-2-dodecanoyl-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine
N-(9Z-octadecenoyl)-1-O-(11-methyldodecyl)-2-dodecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-13:0(11-me)/12:0/18:1(9Z))