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1-(11-methyldodecanoyl)-2-heptadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

PropertiesImage
MNX_IDMNXM188655 Image of MNXM188655
referenceslm:000471269
formulaC36H69O13P2
global charge-3
mol weight771.883
InChIKeyOOKRNKWMYPLOGK-SZAHLOSFSA-K
InChIInChI=1S/C36H72O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-36(39)49-34(31-48-51(43,44)47-29-33(37)28-46-50(40,41)42)30-45-35(38)26-23-20-18-15-16-19-22-25-32(2)3/h32-34,37H,4-31H2,1-3H3,(H,43,44)(H2,40,41,42)/p-3/t33-,34+/m0/s1
SMILESCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C36H72O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-24-27-36(39)49-34(31-48-51(43,44)47-29-33(37)28-46-50(40,41)42)30-45-35(38)26-23-20-18-15-16-19-22-25-32(2)3/h32-34,37H,4-31H2,1-3H3,(H,43,44)(H2,40,41,42)/t33-,34+/m0/s1 Image of MNXM188655
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:17][CH2:21][CH2:24][CH2:27][C:36](=[O:39])[O:49][C@H:34]([CH2:30][O:45][C:35]([CH2:26][CH2:23][CH2:20][CH2:18][CH2:15][CH2:16][CH2:19][CH2:22][CH2:25][CH:32]([CH3:2])[CH3:3])=[O:38])[CH2:31][O:48][P:51]([OH:43])(=[O:44])[O:47][CH2:29][C@H:33]([CH2:28][O:46][P:50]([OH:40])([OH:41])=[O:42])[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000471269
slm:000471269
OOKRNKWMYPLOGK-SZAHLOSFSA-K
1-(11-methyldodecanoyl)-2-heptadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
PGP(13:0/17:0)
Phosphatidylglycerophosphate (13:0/17:0)