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1-(11Z,14Z-eicosadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM953489 Image of MNXM953489
referenceslm:000645874
formulaC51H87NO9P
global charge-1
mol weight889.229
InChIKeyPJKLRFBGONOWPP-NUCJVCIXSA-M
InChIInChI=1S/C51H88NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-42-50(54)58-46-48(47-60-62(56,57)59-45-44-52-49(53)41-38-9-6-3)61-51(55)43-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,27,29,33,35,48H,4-13,18-19,24-26,28,30-32,34,36-47H2,1-3H3,(H,52,53)(H,56,57)/p-1/b16-14-,17-15-,22-20-,23-21-,29-27-,35-33-/t48-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC
MNX internals
InChI (mnx)InChI=1/C51H88NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-42-50(54)58-46-48(47-60-62(56,57)59-45-44-52-49(53)41-38-9-6-3)61-51(55)43-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h14-17,20-23,27,29,33,35,48H,4-13,18-19,24-26,28,30-32,34,36-47H2,1-3H3,(H,52,53)(H,56,57)/b16-14-,17-15-,22-20-,23-21-,29-27-,35-33-/t48-/m1/s1 Image of MNXM953489
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:39][CH2:42][C:50](=[O:54])[O:58][CH2:46][C@H:48]([CH2:47][O:60][P:62]([OH:56])(=[O:57])[O:59][CH2:45][CH2:44][N:52]=[C:49]([CH2:41][CH2:38][CH2:9][CH2:6][CH3:3])[OH:53])[O:61][C:51]([CH2:43][CH2:40][CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55]
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:000645874
slm:000645874
PJKLRFBGONOWPP-NUCJVCIXSA-M
1-(11Z,14Z-eicosadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-(11Z,14Z-eicosadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/6:0)