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1-O-octadecyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1032242 Image of MNXM1032242
referenceslm:000724631
formulaC59H109NO8P
global charge-1
mol weight991.494
InChIKeyHZWFVBYDXOKCEB-CGJGAMPESA-M
InChIInChI=1S/C59H110NO8P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-53-65-55-57(68-59(62)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-67-69(63,64)66-54-52-60-58(61)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,36,39,57H,4-17,19-20,22-25,28,31-35,37-38,40-56H2,1-3H3,(H,60,61)(H,63,64)/p-1/b21-18-,29-26-,30-27-,39-36-/t57-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C59H110NO8P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-53-65-55-57(68-59(62)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-67-69(63,64)66-54-52-60-58(61)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,36,39,57H,4-17,19-20,22-25,28,31-35,37-38,40-56H2,1-3H3,(H,60,61)(H,63,64)/b21-18-,29-26-,30-27-,39-36-/t57-/m1/s1 Image of MNXM1032242
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:53][O:65][CH2:55][C@H:57]([CH2:56][O:67][P:69]([OH:63])(=[O:64])[O:66][CH2:54][CH2:52][N:60]=[C:58]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:61])[O:68][C:59]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62]
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:000724631
slm:000724631
HZWFVBYDXOKCEB-CGJGAMPESA-M
1-O-octadecyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine
N-(9Z-octadecenoyl)-1-O-octadecyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-18:0/18:3(6Z,9Z,12Z)/18:1(9Z))