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Phosphatidylserine (dihexadecanoyl, n-C16:0)

MNXM32181 is deprecated and here replaced by MNXM734047
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734047 Image of MNXM734047
referencebiggM:ps160
formulaC38H72NO10P
global charge-2
mol weight733.965
InChIKeyPEEJIZMTOKSKCJ-UHFFFAOYSA-L
InChIInChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-33-35(34-48-50(44,45)47-32-31-39-38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,39H,3-34H2,1-2H3,(H,42,43)(H,44,45)/p-2
SMILESCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C38H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-33-35(34-48-50(44,45)47-32-31-39-38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,39H,3-34H2,1-2H3,(H,42,43)(H,44,45)/t35? Image of MNXM734047
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:36](=[O:40])[O:46][CH2:33][CH:35]([CH2:34][O:48][P:50]([OH:44])(=[O:45])[O:47][CH2:32][CH2:31][NH:39][C:38](=[O:42])[OH:43])[O:49][C:37]([CH2:30][CH2:28][CH2:26][CH2:24][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)5
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:ps160
biggM:ps160
PEEJIZMTOKSKCJ-UHFFFAOYSA-L 		Phosphatidylserine (dihexadecanoyl, n-C16:0)

vmhM:ps160
vmhmetabolite:ps160
PEEJIZMTOKSKCJ-UHFFFAOYSA-M 		phosphatidylserine (dihexadecanoyl, n-C16:0)

biggM:M_ps160
vmhM:M_ps160 		secondary/obsolete/fantasy identifier