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1-(11E-octadecenoyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM191197 Image of MNXM191197
referenceslm:000021056
formulaC39H71O8P
global charge-2
mol weight698.963
InChIKeyAWPBMIQHIDKMBW-VKTUZEFBSA-L
InChIInChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,24,26,37H,3-12,14,16-23,25,27-36H2,1-2H3,(H2,42,43,44)/p-2/b15-13+,26-24-/t37-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCC/C=C\CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,24,26,37H,3-12,14,16-23,25,27-36H2,1-2H3,(H2,42,43,44)/b15-13+,26-24-/t37-/m1/s1 Image of MNXM191197
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:40])[O:45][CH2:35][C@H:37]([CH2:36][O:46][P:48]([OH:42])([OH:43])=[O:44])[O:47][C:39]([CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:41]
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:000021056
slm:000021056
AWPBMIQHIDKMBW-VKTUZEFBSA-L
1-(11E-octadecenoyl)-2-(6Z-octadecenoyl)-sn-glycero-3-phosphate
PA(18:1(11E)/18:1(6Z))
Phosphatidate (18:1(11E)/18:1(6Z))