**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Phosphatidylglycerophosphate dioctadec-11-enoyl

Properties Image MNX_ID MNXM5269 reference seedM:cpd15548 formula C42H78O13P2 global charge -2 mol weight 853.021 InChIKey JUWFWNRVCXDDFB-UHFFFAOYSA-L InChI InChI=1S/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39-40,43H,3-12,17-38H2,1-2H3,(H,49,50)(H2,46,47,48)/p-2 SMILES CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])O)OC(=O)CCCCCCCCCC=CCCCCCC MNX internals InChI (mnx) InChI=1/C42H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,39-40,43H,3-12,17-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b15-13?,16-14?/t39?,40? SMILES (mnx) [CH3:1][CH:2]([CH2:3][CH2:4][C:5]([CH3:6])(=[CH2:7])[CH3:8])[CH2:9][CH2:10][C:11]([CH3:12])(=[CH2:13])[CH2:14][CH2:15][CH:16]([CH2:17][C:18](=[CH2:19])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH:29]=[CH:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][C: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][O:53][O:54][O:55][PH:56][PH2:57]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 7

Similar chemical compounds in external resources

Identifier	Description
seed.compound:cpd15548 seedM:cpd15548 JUWFWNRVCXDDFB-UHFFFAOYSA-L	Phosphatidylglycerophosphate dioctadec-11-enoyl Phosphatidylglycerophosphate (dioctadec-11-enoyl, n-C18:1) pgp181
bigg.metabolite:pgp181 biggM:pgp181 vmhM:pgp181 vmhM:pgp181 vmhmetabolite:pgp181 vmhmetabolite:pgp181 JUWFWNRVCXDDFB-UHFFFAOYSA-K	Phosphatidylglycerophosphate (dioctadec-11-enoyl, n-C18:1)
biggM:M_pgp181 seedM:M_cpd15548 vmhM:M_pgp181	secondary/obsolete/fantasy identifier