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1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phospho-N-hexanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM938565 Image of MNXM938565
referenceslm:000630950
formulaC58H103NO9P
global charge-1
mol weight989.434
InChIKeyCZIWSCIJXQCJFN-UVQRAVLCSA-M
InChIInChI=1S/C58H104NO9P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37-40-44-48-57(61)65-52-55(68-58(62)49-45-41-38-35-36-39-43-46-54(3)4)53-67-69(63,64)66-51-50-59-56(60)47-42-8-6-2/h7,9,11-12,14-15,17-18,20-21,54-55H,5-6,8,10,13,16,19,22-53H2,1-4H3,(H,59,60)(H,63,64)/p-1/b9-7-,12-11-,15-14-,18-17-,21-20-/t55-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C58H104NO9P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37-40-44-48-57(61)65-52-55(68-58(62)49-45-41-38-35-36-39-43-46-54(3)4)53-67-69(63,64)66-51-50-59-56(60)47-42-8-6-2/h7,9,11-12,14-15,17-18,20-21,54-55H,5-6,8,10,13,16,19,22-53H2,1-4H3,(H,59,60)(H,63,64)/b9-7-,12-11-,15-14-,18-17-,21-20-/t55-/m1/s1 Image of MNXM938565
SMILES (mnx)[CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:37][CH2:40][CH2:44][CH2:48][C:57](=[O:61])[O:65][CH2:52][C@H:55]([CH2:53][O:67][P:69]([OH:63])(=[O:64])[O:66][CH2:51][CH2:50][N:59]=[C:56]([CH2:47][CH2:42][CH2:8][CH2:6][CH3:2])[OH:60])[O:68][C:58]([CH2:49][CH2:45][CH2:41][CH2:38][CH2:35][CH2:36][CH2:39][CH2:43][CH2:46][CH:54]([CH3:3])[CH3:4])=[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:000630950
slm:000630950
CZIWSCIJXQCJFN-UVQRAVLCSA-M
1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phospho-N-hexanoyl-ethanolamine
N-hexanoyl-1-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phosphoethanolamine
NAPE (34:5(19Z,22Z,25Z,28Z,31Z)/13:0-11me/6:0)