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1-heneicosanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70331 Image of MNXM70331
referenceslm:000013014
formulaC51H94NO8P
global charge0
mol weight880.286
InChIKeyBLMQDDIKDYKGNW-LPSPOZDSSA-N
InChIInChI=1S/C51H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,49H,6-13,15,17-19,21,23-25,27,29-31,33,35-48H2,1-5H3/b16-14-,22-20-,28-26-,34-32-/t49-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C51H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26,28,32,34,49H,6-13,15,17-19,21,23-25,27,29-31,33,35-48H2,1-5H3/b16-14-,22-20-,28-26-,34-32-/t49-/m1/s1 Image of MNXM70331
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:51](=[O:54])[O:60][C@H:49]([CH2:47][O:57][C:50]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:53])[CH2:48][O:59][P:61](=[O:55])([O-:56])[O:58][CH2:46][CH2:45][N+:52]([CH3:3])([CH3:4])[CH3:5]
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:000013014
slm:000013014
BLMQDDIKDYKGNW-LPSPOZDSSA-N
1-heneicosanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine
PC(21:0/22:4(7Z,10Z,13Z,16Z))
Phosphatidylcholine (21:0/22:4(7Z,10Z,13Z,16Z))

lipidmaps:LMGP01011979
lipidmapsM:LMGP01011979
BLMQDDIKDYKGNW-LPSPOZDSSA-N
PC(21:0/22:4(7Z,10Z,13Z,16Z))
1-heneicosanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphocholine
PC 43:4
PC(21:0_22:4)
PC(43:4)