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Acyl phosphatidylglycerol (n-C14:1)

PropertiesImage
MNX_IDMNXM7019 Image of MNXM7019
referencebiggM:apg141
formulaC48H86O11P
global charge-1
mol weight870.179
InChIKeyGKHYJHGQULCCBX-UHFFFAOYSA-M
InChIInChI=1S/C48H87O11P/c1-4-7-10-13-16-19-22-25-28-31-34-37-46(50)55-40-44(49)41-57-60(53,54)58-43-45(59-48(52)39-36-33-30-27-24-21-18-15-12-9-6-3)42-56-47(51)38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,44-45,49H,4-18,25-43H2,1-3H3,(H,53,54)/p-1
SMILESCCCCCCC=CCCCCCC(=O)OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCC=CCCCCCC)OC(=O)CCCCCC=CCCCCCC
MNX internals
InChI (mnx)InChI=1/C48H87O11P/c1-4-7-10-13-16-19-22-25-28-31-34-37-46(50)55-40-44(49)41-57-60(53,54)58-43-45(59-48(52)39-36-33-30-27-24-21-18-15-12-9-6-3)42-56-47(51)38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,44-45,49H,4-18,25-43H2,1-3H3,(H,53,54)/b22-19?,23-20?,24-21?/t44?,45? Image of MNXM7019
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH:19]=[CH:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][C:46](=[O:50])[O:55][CH2:40][CH:44]([CH2:41][O:57][P:60]([OH:53])(=[O:54])[O:58][CH2:43][CH:45]([CH2:42][O:56][C:47]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH:23]=[CH:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:51])[O:59][C:48]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH:24]=[CH:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52])[OH:49]
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:apg141
biggM:apg141
GKHYJHGQULCCBX-UHFFFAOYSA-M
Acyl phosphatidylglycerol (n-C14:1)

biggM:M_apg141
secondary/obsolete/fantasy identifier