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Phosphatidylglycerol (dioctadec-11-enoyl, n-C18:1)

PropertiesImage
MNX_IDMNXM731815 Image of MNXM731815
referencebiggM:pg181
formulaC42H78O10P
global charge-1
mol weight774.05
InChIKeySOLXJHKVRWSNJX-UHFFFAOYSA-M
InChIInChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39-40,43-44H,3-12,17-38H2,1-2H3,(H,47,48)/p-1
SMILESCCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)CO)OC(=O)CCCCCCCCCC=CCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39-40,43-44H,3-12,17-38H2,1-2H3,(H,47,48)/b15-13?,16-14?/t39?,40? Image of MNXM731815
SMILES (mnx)[CH3:1][CH2:2][CH:3]([CH3:4])[CH2:5][CH2:6][C:7]([CH3:8])(=[CH2:9])[CH2:10][CH2:11][CH:12]([CH2:13][C:14](=[CH2:15])[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH:25]=[CH:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][C:35](=[CH2:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][O:43][O:44][O:45][O:46]=[O:47][O:48][O:49][O:50][O:51][O:52][PH2:53]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)27
in models (compartimentalized) 29
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:pg181
biggM:pg181
vmhM:pg181
vmhM:pg181
vmhmetabolite:pg181
vmhmetabolite:pg181
SOLXJHKVRWSNJX-UHFFFAOYSA-M
Phosphatidylglycerol (dioctadec-11-enoyl, n-C18:1)

biggM:M_pg181
vmhM:M_pg181
secondary/obsolete/fantasy identifier