Search MNXref
 Feedback

1-O-octadecyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70869 Image of MNXM70869
referenceslm:000028317
formulaC44H84NO7P
global charge0
mol weight770.13
InChIKeyGKKOTWSKEIRXDA-JUUDQZDJSA-N
InChIInChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,43H,6-8,10,12-14,16,18-20,22,24-42H2,1-5H3/b11-9-,17-15-,23-21-/t43-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,43H,6-8,10,12-14,16,18-20,22,24-42H2,1-5H3/b11-9-,17-15-,23-21-/t43-/m1/s1 Image of MNXM70869
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][CH2:39][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]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH: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:000028317
slm:000028317
GKKOTWSKEIRXDA-JUUDQZDJSA-N 		1-O-octadecyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
1-octadecyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
PC(O-18:0/18:3(9Z,12Z,15Z))
Phosphatidylcholine (O-18:0/18:3(9Z,12Z,15Z))

lipidmaps:LMGP01020205
lipidmapsM:LMGP01020205
GKKOTWSKEIRXDA-JUUDQZDJSA-N 		PC(O-18:0/18:3(9Z,12Z,15Z))
1-octadecyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphocholine
PC O-36:3
PC(O-18:0/18:3)
PC(O-36:3)
hmdb:HMDB0304720
GKKOTWSKEIRXDA-JUUDQZDJSA-N 		Phenylalanine-betaxanthin
trimethyl(2-{[(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(octadecyloxy)propyl phosphono]oxy}ethyl)azanium