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PC(O-20:0/21:0)

PropertiesImage
MNX_IDMNXM70951 Image of MNXM70951
referencechebi:186439
formulaC49H100NO7P
global charge0
mol weight846.313
InChIKeyDOCKGXUQHKFUDF-QSCHNALKSA-N
InChIInChI=1S/C49H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(51)57-48(47-56-58(52,53)55-45-43-50(3,4)5)46-54-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C49H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(51)57-48(47-56-58(52,53)55-45-43-50(3,4)5)46-54-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1 Image of MNXM70951
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][C:49](=[O:51])[O:57][C@H:48]([CH2:46][O:54][CH2:44][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])[CH2:47][O:56][P:58](=[O:52])([O-:53])[O:55][CH2:45][CH2:43][N+:50]([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

CHEBI:186439
chebi:186439
DOCKGXUQHKFUDF-QSCHNALKSA-N 		PC(O-20:0/21:0)
[(2R)-2-henicosanoyloxy-3-icosoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

SLM:000028011
slm:000028011
DOCKGXUQHKFUDF-QSCHNALKSA-N 		1-O-eicosyl-2-heneicosanoyl-sn-glycero-3-phosphocholine
1-eicosyl-2-heneicosanoyl-sn-glycero-3-phosphocholine
PC(O-20:0/21:0)
Phosphatidylcholine (O-20:0/21:0)

lipidmaps:LMGP01020240
lipidmapsM:LMGP01020240
DOCKGXUQHKFUDF-QSCHNALKSA-N 		PC(O-20:0/21:0)
1-eicosyl-2-heneicosanoyl-glycero-3-phosphocholine
PC O-41:0
PC(O-20:0/21:0)
PC(O-41:0)