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Acyl phosphatidylglycerol (n-C12:0)

MNXM40226 is deprecated and here replaced by MNXM735474
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735474 Image of MNXM735474
referencebiggM:apg120
formulaC42H80O11P
global charge-1
mol weight792.065
InChIKeyAJCVDIXUOBZCPE-UHFFFAOYSA-M
InChIInChI=1S/C42H81O11P/c1-4-7-10-13-16-19-22-25-28-31-40(44)49-34-38(43)35-51-54(47,48)52-37-39(53-42(46)33-30-27-24-21-18-15-12-9-6-3)36-50-41(45)32-29-26-23-20-17-14-11-8-5-2/h38-39,43H,4-37H2,1-3H3,(H,47,48)/p-1
SMILESCCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H81O11P/c1-4-7-10-13-16-19-22-25-28-31-40(44)49-34-38(43)35-51-54(47,48)52-37-39(53-42(46)33-30-27-24-21-18-15-12-9-6-3)36-50-41(45)32-29-26-23-20-17-14-11-8-5-2/h38-39,43H,4-37H2,1-3H3,(H,47,48)/t38?,39? Image of MNXM735474
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][C:40](=[O:44])[O:49][CH2:34][CH:38]([CH2:35][O:51][P:54]([OH:47])(=[O:48])[O:52][CH2:37][CH:39]([CH2:36][O:50][C:41]([CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:45])[O:53][C:42]([CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:46])[OH:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:apg120
biggM:apg120
AJCVDIXUOBZCPE-UHFFFAOYSA-M 		Acyl phosphatidylglycerol (n-C12:0)

biggM:M_apg120 		secondary/obsolete/fantasy identifier