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Acyl phosphatidylglycerol (n-C16:0)

MNXM40228 is deprecated and here replaced by MNXM735478
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735478 Image of MNXM735478
referencebiggM:apg160
formulaC54H104O11P
global charge-1
mol weight960.389
InChIKeyBSAFHIMUDGXOPA-UHFFFAOYSA-M
InChIInChI=1S/C54H105O11P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-52(56)61-46-50(55)47-63-66(59,60)64-49-51(65-54(58)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-62-53(57)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h50-51,55H,4-49H2,1-3H3,(H,59,60)/p-1
SMILESCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C54H105O11P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-52(56)61-46-50(55)47-63-66(59,60)64-49-51(65-54(58)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-62-53(57)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h50-51,55H,4-49H2,1-3H3,(H,59,60)/t50?,51? Image of MNXM735478
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][C:52](=[O:56])[O:61][CH2:46][CH:50]([CH2:47][O:63][P:66]([OH:59])(=[O:60])[O:64][CH2:49][CH:51]([CH2:48][O:62][C:53]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57])[O:65][C:54]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[OH:55]
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:apg160
biggM:apg160
BSAFHIMUDGXOPA-UHFFFAOYSA-M 		Acyl phosphatidylglycerol (n-C16:0)

biggM:M_apg160 		secondary/obsolete/fantasy identifier