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1-(11Z,14Z,17Z-eicoastrienoyl)-2-octanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

PropertiesImage
MNX_IDMNXM198873 Image of MNXM198873
referenceslm:000471513
formulaC34H59O13P2
global charge-3
mol weight737.781
InChIKeyMOXCHFANLDIYGM-QOGZYBDBSA-K
InChIInChI=1S/C34H62O13P2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-23-25-33(36)43-29-32(47-34(37)26-24-21-8-6-4-2)30-46-49(41,42)45-28-31(35)27-44-48(38,39)40/h5,7,10-11,13-14,31-32,35H,3-4,6,8-9,12,15-30H2,1-2H3,(H,41,42)(H2,38,39,40)/p-3/b7-5-,11-10-,14-13-/t31-,32+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C34H62O13P2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-23-25-33(36)43-29-32(47-34(37)26-24-21-8-6-4-2)30-46-49(41,42)45-28-31(35)27-44-48(38,39)40/h5,7,10-11,13-14,31-32,35H,3-4,6,8-9,12,15-30H2,1-2H3,(H,41,42)(H2,38,39,40)/b7-5-,11-10-,14-13-/t31-,32+/m0/s1 Image of MNXM198873
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:23][CH2:25][C:33](=[O:36])[O:43][CH2:29][C@H:32]([CH2:30][O:46][P:49]([OH:41])(=[O:42])[O:45][CH2:28][C@H:31]([CH2:27][O:44][P:48]([OH:38])([OH:39])=[O:40])[OH:35])[O:47][C:34]([CH2:26][CH2:24][CH2:21][CH2:8][CH2:6][CH2:4][CH3:2])=[O: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:000471513
slm:000471513
MOXCHFANLDIYGM-QOGZYBDBSA-K
1-(11Z,14Z,17Z-eicoastrienoyl)-2-octanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
PGP(20:3(11Z,14Z,17Z)/8:0)
Phosphatidylglycerophosphate (20:3(11Z,14Z,17Z)/8:0)