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1-(11E-octadecenoyl)-2-tridecanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM193116 Image of MNXM193116
referenceslm:000008076
formulaC39H76NO8P
global charge0
mol weight718.01
InChIKeyURVKXMGHIZXBKC-UWHFFNJJSA-N
InChIInChI=1S/C39H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-23-17-15-13-11-9-7-2/h16,18,37H,6-15,17,19-36H2,1-5H3/b18-16+/t37-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C39H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-23-17-15-13-11-9-7-2/h16,18,37H,6-15,17,19-36H2,1-5H3/b18-16+/t37-/m1/s1 Image of MNXM193116
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14]/[CH:16]=[CH:18]/[CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][C:38](=[O:41])[O:45][CH2:35][C@H:37]([CH2:36][O:47][P:49](=[O:43])([O-:44])[O:46][CH2:34][CH2:33][N+:40]([CH3:3])([CH3:4])[CH3:5])[O:48][C:39]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:42]
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:000008076
slm:000008076
URVKXMGHIZXBKC-UWHFFNJJSA-N
1-(11E-octadecenoyl)-2-tridecanoyl-sn-glycero-3-phosphocholine
PC(18:1(11E)/13:0)
Phosphatidylcholine (18:1(11E)/13:0)