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Phosphatidylserine (didodecanoyl, n-C12:0)

PropertiesImage
MNX_IDMNXM7659 Image of MNXM7659
referencebiggM:ps120
formulaC30H56NO10P
global charge-2
mol weight621.749
InChIKeyOGIRYMOFUJJQND-UHFFFAOYSA-L
InChIInChI=1S/C30H58NO10P/c1-3-5-7-9-11-13-15-17-19-21-28(32)38-25-27(26-40-42(36,37)39-24-23-31-30(34)35)41-29(33)22-20-18-16-14-12-10-8-6-4-2/h27,31H,3-26H2,1-2H3,(H,34,35)(H,36,37)/p-2
SMILESCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)[O-])OC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C30H58NO10P/c1-3-5-7-9-11-13-15-17-19-21-28(32)38-25-27(26-40-42(36,37)39-24-23-31-30(34)35)41-29(33)22-20-18-16-14-12-10-8-6-4-2/h27,31H,3-26H2,1-2H3,(H,34,35)(H,36,37)/t27? Image of MNXM7659
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][C:28](=[O:32])[O:38][CH2:25][CH:27]([CH2:26][O:40][P:42]([OH:36])(=[O:37])[O:39][CH2:24][CH2:23][NH:31][C:30](=[O:34])[OH:35])[O:41][C:29]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:ps120
biggM:ps120
OGIRYMOFUJJQND-UHFFFAOYSA-L
Phosphatidylserine (didodecanoyl, n-C12:0)

biggM:M_ps120
secondary/obsolete/fantasy identifier