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1-heneicosanoyl-2-docosanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70328 Image of MNXM70328
referenceslm:000013031
formulaC51H102NO8P
global charge0
mol weight888.35
InChIKeyQBLXLMCDYZRFOA-ANFMRNGASA-N
InChIInChI=1S/C51H102NO8P/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/h49H,6-48H2,1-5H3/t49-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C51H102NO8P/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/h49H,6-48H2,1-5H3/t49-/m1/s1 Image of MNXM70328
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][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:000013031
slm:000013031
QBLXLMCDYZRFOA-ANFMRNGASA-N
1-heneicosanoyl-2-docosanoyl-sn-glycero-3-phosphocholine
PC(21:0/22:0)
Phosphatidylcholine (21:0/22:0)

lipidmaps:LMGP01011976
lipidmapsM:LMGP01011976
QBLXLMCDYZRFOA-ANFMRNGASA-N
PC(21:0/22:0)
1-heneicosanoyl-2-docosanoyl-glycero-3-phosphocholine
PC 43:0
PC(21:0_22:0)
PC(43:0)