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1-O-(9Z-octadecenyl)-2-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1041736 Image of MNXM1041736
referenceslm:000734125
formulaC59H107NO8P
global charge-1
mol weight989.478
InChIKeyHMBOVUUNVBOAJF-MGHJMNIBSA-M
InChIInChI=1S/C59H108NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-45-48-51-59(62)68-57(56-67-69(63,64)66-54-52-60-58(61)50-47-44-12-9-6-3)55-65-53-49-46-43-41-39-37-35-24-22-20-18-16-14-11-8-5-2/h15,17,21-24,26-27,29-30,57H,4-14,16,18-20,25,28,31-56H2,1-3H3,(H,60,61)(H,63,64)/p-1/b17-15-,23-21-,24-22-,27-26-,30-29-/t57-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C59H108NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-45-48-51-59(62)68-57(56-67-69(63,64)66-54-52-60-58(61)50-47-44-12-9-6-3)55-65-53-49-46-43-41-39-37-35-24-22-20-18-16-14-11-8-5-2/h15,17,21-24,26-27,29-30,57H,4-14,16,18-20,25,28,31-56H2,1-3H3,(H,60,61)(H,63,64)/b17-15-,23-21-,24-22-,27-26-,30-29-/t57-/m1/s1 Image of MNXM1041736
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:45][CH2:48][CH2:51][C:59](=[O:62])[O:68][C@H:57]([CH2:55][O:65][CH2:53][CH2:49][CH2:46][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:24]=[CH:22]\[CH2:20][CH2:18][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[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][CH2:12][CH2:9][CH2:6][CH3:3])[OH:61]
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:000734125
slm:000734125
HMBOVUUNVBOAJF-MGHJMNIBSA-M
1-O-(9Z-octadecenyl)-2-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(9Z-octadecenyl)-2-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-18:1(9Z)/28:4(13Z,16Z,19Z,22Z)/8:0)