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1-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-2-butanoyl-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM968179 Image of MNXM968179
referenceslm:000660564
formulaC59H107NO9P
global charge-1
mol weight1005.477
InChIKeyOSIZGBGJCNSATJ-YMOPVQKVSA-M
InChIInChI=1S/C59H108NO9P/c1-4-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-51-58(62)66-54-56(69-59(63)49-6-3)55-68-70(64,65)67-53-52-60-57(61)50-47-45-43-41-39-16-14-12-10-8-5-2/h13,15,18-19,21-22,24-25,56H,4-12,14,16-17,20,23,26-55H2,1-3H3,(H,60,61)(H,64,65)/p-1/b15-13-,19-18-,22-21-,25-24-/t56-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC)OC(=O)CCC
MNX internals
InChI (mnx)InChI=1/C59H108NO9P/c1-4-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-51-58(62)66-54-56(69-59(63)49-6-3)55-68-70(64,65)67-53-52-60-57(61)50-47-45-43-41-39-16-14-12-10-8-5-2/h13,15,18-19,21-22,24-25,56H,4-12,14,16-17,20,23,26-55H2,1-3H3,(H,60,61)(H,64,65)/b15-13-,19-18-,22-21-,25-24-/t56-/m1/s1 Image of MNXM968179
SMILES (mnx)[CH3:1][CH2:4][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][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:51][C:58](=[O:62])[O:66][CH2:54][C@H:56]([CH2:55][O:68][P:70]([OH:64])(=[O:65])[O:67][CH2:53][CH2:52][N:60]=[C:57]([CH2:50][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[OH:61])[O:69][C:59]([CH2:49][CH2:6][CH3:3])=[O:63]
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:000660564
slm:000660564
OSIZGBGJCNSATJ-YMOPVQKVSA-M
1-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-2-butanoyl-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-(21Z,24Z,27Z,30Z-hexatriacontatetraenoyl)-2-butanoyl-sn-glycero-3-phosphoethanolamine
NAPE (36:4(21Z,24Z,27Z,30Z)/4:0/14:0)