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1-butanoyl-2-octacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

PropertiesImage
MNX_IDMNXM344388 Image of MNXM344388
referenceslm:000475777
formulaC38H73O13P2
global charge-3
mol weight799.937
InChIKeyOZCGRIWZOATCDU-MPQUPPDSSA-K
InChIInChI=1S/C38H76O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-38(41)51-36(33-47-37(40)29-4-2)34-50-53(45,46)49-32-35(39)31-48-52(42,43)44/h35-36,39H,3-34H2,1-2H3,(H,45,46)(H2,42,43,44)/p-3/t35-,36+/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C38H76O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-38(41)51-36(33-47-37(40)29-4-2)34-50-53(45,46)49-32-35(39)31-48-52(42,43)44/h35-36,39H,3-34H2,1-2H3,(H,45,46)(H2,42,43,44)/t35-,36+/m0/s1 Image of MNXM344388
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][C:38](=[O:41])[O:51][C@H:36]([CH2:33][O:47][C:37]([CH2:29][CH2:4][CH3:2])=[O:40])[CH2:34][O:50][P:53]([OH:45])(=[O:46])[O:49][CH2:32][C@H:35]([CH2:31][O:48][P:52]([OH:42])([OH:43])=[O:44])[OH:39]
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:000475777
slm:000475777
OZCGRIWZOATCDU-MPQUPPDSSA-K
1-butanoyl-2-octacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
PGP(4:0/28:0)
Phosphatidylglycerophosphate (4:0/28:0)