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1-(9Z,12Z,15Z,18Z-tetracosatetraenoyl)-2-(13-methyltetradecanoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM962103 Image of MNXM962103
referenceslm:000654488
formulaC58H105NO9P
global charge-1
mol weight991.45
InChIKeyVZWIIGJTDSSHFH-VVDBNOKLSA-M
InChIInChI=1S/C58H106NO9P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-32-36-40-44-48-57(61)65-52-55(68-58(62)49-45-41-37-33-29-30-34-38-42-46-54(3)4)53-67-69(63,64)66-51-50-59-56(60)47-43-39-35-31-27-16-14-12-10-8-6-2/h13,15,18-19,21-22,24-25,54-55H,5-12,14,16-17,20,23,26-53H2,1-4H3,(H,59,60)(H,63,64)/p-1/b15-13-,19-18-,22-21-,25-24-/t55-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C58H106NO9P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-32-36-40-44-48-57(61)65-52-55(68-58(62)49-45-41-37-33-29-30-34-38-42-46-54(3)4)53-67-69(63,64)66-51-50-59-56(60)47-43-39-35-31-27-16-14-12-10-8-6-2/h13,15,18-19,21-22,24-25,54-55H,5-12,14,16-17,20,23,26-53H2,1-4H3,(H,59,60)(H,63,64)/b15-13-,19-18-,22-21-,25-24-/t55-/m1/s1 Image of MNXM962103
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:28][CH2:32][CH2:36][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][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:60])[O:68][C:58]([CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:30][CH2:34][CH2:38][CH2:42][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:000654488
slm:000654488
VZWIIGJTDSSHFH-VVDBNOKLSA-M
1-(9Z,12Z,15Z,18Z-tetracosatetraenoyl)-2-(13-methyltetradecanoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-(9Z,12Z,15Z,18Z-tetracosatetraenoyl)-2-(13-methyltetradecanoyl)-sn-glycero-3-phosphoethanolamine
NAPE (24:4(9Z,12Z,15Z,18Z)/15:0-13me/14:0)