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1-O-(1Z-eicosenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM71142 Image of MNXM71142
referenceslm:000048756
formulaC44H88NO7P
global charge0
mol weight774.162
InChIKeyWIBLMBMOLOLTTN-PHHYKNGOSA-N
InChIInChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-/t43-/m1/s1
SMILESCCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C44H88NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h36,39,43H,6-35,37-38,40-42H2,1-5H3/b39-36-/t43-/m1/s1 Image of MNXM71142
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34]/[CH:36]=[CH:39]\[O:49][CH2:41][C@H:43]([CH2:42][O:51][P:53](=[O:47])([O-:48])[O:50][CH2:40][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5])[O:52][C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:46]
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:000048756
slm:000048756
WIBLMBMOLOLTTN-PHHYKNGOSA-N
1-O-(1Z-eicosenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine
1-(1Z-eicosenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine
PC(P-20:0/16:0)
Phosphatidylcholine (P-20:0/16:0)

lipidmaps:LMGP01030080
lipidmapsM:LMGP01030080
WIBLMBMOLOLTTN-PHHYKNGOSA-N
PC(P-20:0/16:0)
1-(1Z-eicosenyl)-2-hexadecanoyl-glycero-3-phosphocholine
PC O-36:1
PC(P-20:0/16:0)
PC(P-36:0)