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Phosphatidylserine (dihexadec-9-enoyl, n-C16:1)

PropertiesImage
MNX_IDMNXM7660 Image of MNXM7660
referencebiggM:ps161
formulaC38H68NO10P
global charge-2
mol weight729.933
InChIKeyZFWZZVIWZXUEAX-UHFFFAOYSA-L
InChIInChI=1S/C38H70NO10P/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/h13-16,35,39H,3-12,17-34H2,1-2H3,(H,42,43)(H,44,45)/p-2
SMILESCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)[O-])OC(=O)CCCCCCCC=CCCCCCC
MNX internals
InChI (mnx)InChI=1/C38H70NO10P/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/h13-16,35,39H,3-12,17-34H2,1-2H3,(H,42,43)(H,44,45)/b15-13?,16-14?/t35? Image of MNXM7660
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][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][CH:16]=[CH: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)6
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:ps161
biggM:ps161
ZFWZZVIWZXUEAX-UHFFFAOYSA-L
Phosphatidylserine (dihexadec-9-enoyl, n-C16:1)

vmhM:ps161
vmhmetabolite:ps161
ZFWZZVIWZXUEAX-UHFFFAOYSA-M
phosphatidylserine (dihexadec-9-enoyl, n-C16:1)

biggM:M_ps161
vmhM:M_ps161
secondary/obsolete/fantasy identifier