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1-O-(1Z,9Z,12Z-octadecatrienyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1023830 Image of MNXM1023830
referenceslm:000716219
formulaC53H87NO8P
global charge-1
mol weight897.252
InChIKeyDMYDKFYSTIPABE-AYQJOAGVSA-M
InChIInChI=1S/C53H88NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-30-32-34-36-39-42-45-53(56)62-51(50-61-63(57,58)60-48-46-54-52(55)44-41-38-12-9-6-3)49-59-47-43-40-37-35-33-31-29-24-22-20-18-16-14-11-8-5-2/h7,10,15-18,21-24,26-27,30,32,36,39,43,47,51H,4-6,8-9,11-14,19-20,25,28-29,31,33-35,37-38,40-42,44-46,48-50H2,1-3H3,(H,54,55)(H,57,58)/p-1/b10-7-,17-15-,18-16-,23-21-,24-22-,27-26-,32-30-,39-36-,47-43-/t51-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO/C=C\CCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C53H88NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-30-32-34-36-39-42-45-53(56)62-51(50-61-63(57,58)60-48-46-54-52(55)44-41-38-12-9-6-3)49-59-47-43-40-37-35-33-31-29-24-22-20-18-16-14-11-8-5-2/h7,10,15-18,21-24,26-27,30,32,36,39,43,47,51H,4-6,8-9,11-14,19-20,25,28-29,31,33-35,37-38,40-42,44-46,48-50H2,1-3H3,(H,54,55)(H,57,58)/b10-7-,17-15-,18-16-,23-21-,24-22-,27-26-,32-30-,39-36-,47-43-/t51-/m1/s1 Image of MNXM1023830
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34]/[CH:36]=[CH:39]\[CH2:42][CH2:45][C:53](=[O:56])[O:62][C@H:51]([CH2:49][O:59]/[CH:47]=[CH:43]\[CH2:40][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:50][O:61][P:63]([OH:57])(=[O:58])[O:60][CH2:48][CH2:46][N:54]=[C:52]([CH2:44][CH2:41][CH2:38][CH2:12][CH2:9][CH2:6][CH3:3])[OH: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:000716219
slm:000716219
DMYDKFYSTIPABE-AYQJOAGVSA-M
1-O-(1Z,9Z,12Z-octadecatrienyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(1Z,9Z,12Z-octadecatrienyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/8:0)