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

PropertiesImage
MNX_IDMNXM325444 Image of MNXM325444
referenceslm:000012105
formulaC37H70NO8P
global charge0
mol weight687.94
InChIKeyDIYMILIRWSQNFO-GWRFYALBSA-N
InChIInChI=1S/C37H70NO8P/c1-6-8-10-12-14-16-18-19-20-22-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38(3,4)5)46-37(40)30-28-26-24-21-17-15-13-11-9-7-2/h10,12,16,18,35H,6-9,11,13-15,17,19-34H2,1-5H3/b12-10-,18-16-/t35-/m1/s1
SMILESCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C37H70NO8P/c1-6-8-10-12-14-16-18-19-20-22-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38(3,4)5)46-37(40)30-28-26-24-21-17-15-13-11-9-7-2/h10,12,16,18,35H,6-9,11,13-15,17,19-34H2,1-5H3/b12-10-,18-16-/t35-/m1/s1 Image of MNXM325444
SMILES (mnx)[CH3:1][CH2:6][CH2:8]/[CH:10]=[CH:12]\[CH2:14]/[CH:16]=[CH:18]\[CH2:19][CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][C:36](=[O:39])[O:43][CH2:33][C@H:35]([CH2:34][O:45][P:47](=[O:41])([O-:42])[O:44][CH2:32][CH2:31][N+:38]([CH3:3])([CH3:4])[CH3:5])[O:46][C:37]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:40]
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:000012105
slm:000012105
DIYMILIRWSQNFO-GWRFYALBSA-N
1-(9Z,12Z-hexadecadienoyl)-2-tridecanoyl-sn-glycero-3-phosphocholine
PC(16:2(9Z,12Z)/13:0)
Phosphatidylcholine (16:2(9Z,12Z)/13:0)