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1,2-ditridecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

PropertiesImage
MNX_IDMNXM177362 Image of MNXM177362
referenceslm:000475627
formulaC32H61O13P2
global charge-3
mol weight715.775
InChIKeyKMFCDBGIFOVFJW-XZWHSSHBSA-K
InChIInChI=1S/C32H64O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-31(34)41-27-30(28-44-47(39,40)43-26-29(33)25-42-46(36,37)38)45-32(35)24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33H,3-28H2,1-2H3,(H,39,40)(H2,36,37,38)/p-3/t29-,30+/m0/s1
SMILESCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C32H64O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-31(34)41-27-30(28-44-47(39,40)43-26-29(33)25-42-46(36,37)38)45-32(35)24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33H,3-28H2,1-2H3,(H,39,40)(H2,36,37,38)/t29-,30+/m0/s1 Image of MNXM177362
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][C:31](=[O:34])[O:41][CH2:27][C@H:30]([CH2:28][O:44][P:47]([OH:39])(=[O:40])[O:43][CH2:26][C@H:29]([CH2:25][O:42][P:46]([OH:36])([OH:37])=[O:38])[OH:33])[O:45][C:32]([CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:35]
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:000475627
slm:000475627
KMFCDBGIFOVFJW-XZWHSSHBSA-K
1,2-ditridecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
PGP(13:0/13:0)
Phosphatidylglycerophosphate (13:0/13:0)