Search MNXref
 Feedback

1-(9Z,12Z-hexadecadienoyl)-2-nonadecanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM324964 Image of MNXM324964
referenceslm:000012096
formulaC43H82NO8P
global charge0
mol weight772.102
InChIKeyWPRYGEPGACLGEK-JMMITYAOSA-N
InChIInChI=1S/C43H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h11,13,17,19,41H,6-10,12,14-16,18,20-40H2,1-5H3/b13-11-,19-17-/t41-/m1/s1
SMILESCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C43H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h11,13,17,19,41H,6-10,12,14-16,18,20-40H2,1-5H3/b13-11-,19-17-/t41-/m1/s1 Image of MNXM324964
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:43](=[O:46])[O:52][C@H:41]([CH2:39][O:49][C:42]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23]/[CH:19]=[CH:17]\[CH2:15]/[CH:13]=[CH:11]\[CH2:9][CH2:7][CH3:2])=[O:45])[CH2:40][O:51][P:53](=[O:47])([O-:48])[O:50][CH2:38][CH2:37][N+:44]([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:000012096
slm:000012096
WPRYGEPGACLGEK-JMMITYAOSA-N
1-(9Z,12Z-hexadecadienoyl)-2-nonadecanoyl-sn-glycero-3-phosphocholine
PC(16:2(9Z,12Z)/19:0)
Phosphatidylcholine (16:2(9Z,12Z)/19:0)