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

PropertiesImage
MNX_IDMNXM192574 Image of MNXM192574
referenceslm:000008066
formulaC32H62NO8P
global charge0
mol weight619.821
InChIKeyVXKJEZHSTQUCGI-KRTVLASXSA-N
InChIInChI=1S/C32H62NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-24-31(34)38-28-30(41-32(35)25-22-9-7-2)29-40-42(36,37)39-27-26-33(3,4)5/h13-14,30H,6-12,15-29H2,1-5H3/b14-13+/t30-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC
MNX internals
InChI (mnx)InChI=1/C32H62NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-24-31(34)38-28-30(41-32(35)25-22-9-7-2)29-40-42(36,37)39-27-26-33(3,4)5/h13-14,30H,6-12,15-29H2,1-5H3/b14-13+/t30-/m1/s1 Image of MNXM192574
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]/[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:24][C:31](=[O:34])[O:38][CH2:28][C@H:30]([CH2:29][O:40][P:42](=[O:36])([O-:37])[O:39][CH2:27][CH2:26][N+:33]([CH3:3])([CH3:4])[CH3:5])[O:41][C:32]([CH2:25][CH2:22][CH2:9][CH2:7][CH3:2])=[O:35]
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:000008066
slm:000008066
VXKJEZHSTQUCGI-KRTVLASXSA-N
1-(11E-octadecenoyl)-2-hexanoyl-sn-glycero-3-phosphocholine
PC(18:1(11E)/6:0)
Phosphatidylcholine (18:1(11E)/6:0)