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1-butanoyl-2-(19Z,22Z,25Z,28Z-tetratriacontatetraenoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM343812 Image of MNXM343812
referenceslm:000035029
formulaC43H78NO8P
global charge0
mol weight768.07
InChIKeyDPGKFXXVXCSODJ-QSBHFADWSA-N
InChIInChI=1S/C43H78NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-43(46)52-41(39-49-42(45)35-4-2)40-51-53(47,48)50-38-37-44/h8-9,11-12,14-15,17-18,41H,3-7,10,13,16,19-40,44H2,1-2H3,(H,47,48)/b9-8-,12-11-,15-14-,18-17-/t41-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C43H78NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-43(46)52-41(39-49-42(45)35-4-2)40-51-53(47,48)50-38-37-44/h8-9,11-12,14-15,17-18,41H,3-7,10,13,16,19-40,44H2,1-2H3,(H,47,48)/b9-8-,12-11-,15-14-,18-17-/t41-/m1/s1 Image of MNXM343812
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][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][CH2:36][C:43](=[O:46])[O:52][C@H:41]([CH2:39][O:49][C:42]([CH2:35][CH2:4][CH3:2])=[O:45])[CH2:40][O:51][P:53]([OH:47])(=[O:48])[O:50][CH2:38][CH2:37][NH2:44]
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:000035029
slm:000035029
DPGKFXXVXCSODJ-QSBHFADWSA-N
1-butanoyl-2-(19Z,22Z,25Z,28Z-tetratriacontatetraenoyl)-sn-glycero-3-phosphoethanolamine
PE(4:0/34:4(19Z,22Z,25Z,28Z))
Phosphatidylethanolamine (4:0/34:4(19Z,22Z,25Z,28Z))