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1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70812 Image of MNXM70812
referencechebi:86432
formulaC44H88NO7P
global charge0
mol weight774.162
InChIKeyKDJNGPJWWLDTBH-IJPQMANRSA-N
InChIInChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h23-24,43H,6-22,25-42H2,1-5H3/b24-23-/t43-/m1/s1
SMILESCCCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h23-24,43H,6-22,25-42H2,1-5H3/b24-23-/t43-/m1/s1 Image of MNXM70812
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:46])[O:52][C@H:43]([CH2:41][O:49][CH2:39][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[CH2:42][O:51][P:53](=[O:47])([O-:48])[O:50][CH2:40][CH2:38][N+:45]([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:86432
chebi:86432
KDJNGPJWWLDTBH-IJPQMANRSA-N 		1-hexadecyl-2-[(9Z)-eicosenoyl]-sn-glycero-3-phosphocholine
(2R)-3-(hexadecyloxy)-2-{[(9Z)-icos-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
PC(O-16:0/20:1(9Z))

lipidmaps:LMGP01020052
lipidmapsM:LMGP01020052
KDJNGPJWWLDTBH-IJPQMANRSA-N 		PC(O-16:0/20:1(9Z))
1-hexadecyl-2-(9Z-eicosenoyl)-sn-glycero-3-phosphocholine
PC O-36:1
PC(O-16:0/20:1)
PC(O-36:1)

SLM:000092119
slm:000092119 		Phosphatidylcholine (O-16:0/20:1)
PC(O-16:0/20:1)