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

PropertiesImage
MNX_IDMNXM739991 Image of MNXM739991
referencebiggM:pg161
formulaC38H70O10P
global charge-1
mol weight717.942
InChIKeyGHQNERCMPIDAAU-UHFFFAOYSA-M
InChIInChI=1S/C38H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35-36,39-40H,3-12,17-34H2,1-2H3,(H,43,44)/p-1
SMILESCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)CO)OC(=O)CCCCCCCC=CCCCCCC
MNX internals
InChI (mnx)InChI=1/C38H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35-36,39-40H,3-12,17-34H2,1-2H3,(H,43,44)/b15-13?,16-14?/t35?,36? Image of MNXM739991
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:37](=[O:41])[O:45][CH2:33][CH:36]([CH2:34][O:47][P:49]([OH:43])(=[O:44])[O:46][CH2:32][CH:35]([CH2:31][OH:39])[OH:40])[O:48][C:38]([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:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)26
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:pg161
biggM:pg161
GHQNERCMPIDAAU-UHFFFAOYSA-M
Phosphatidylglycerol (dihexadec-9-enoyl, n-C16:1)

biggM:M_pg161
secondary/obsolete/fantasy identifier