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1-C16:0-alpha,omega-dicarboxyl-2-lysophosphatidate

PropertiesImage
MNX_IDMNXM114580 Image of MNXM114580
referencemetacycM:CPD-14828
formulaC19H34O9P
global charge-3
mol weight437.446
InChIKeyLSETUZAYSCHYKL-QGZVFWFLSA-K
InChIInChI=1S/C19H37O9P/c20-17(16-28-29(24,25)26)15-27-19(23)14-12-10-8-6-4-2-1-3-5-7-9-11-13-18(21)22/h17,20H,1-16H2,(H,21,22)(H2,24,25,26)/p-3/t17-/m1/s1
SMILESO=C([O-])CCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C19H37O9P/c20-17(16-28-29(24,25)26)15-27-19(23)14-12-10-8-6-4-2-1-3-5-7-9-11-13-18(21)22/h17,20H,1-16H2,(H,21,22)(H2,24,25,26)/t17-/m1/s1 Image of MNXM114580
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][C:19](=[O:23])[O:27][CH2:15][C@H:17]([CH2:16][O:28][P:29]([OH:24])([OH:25])=[O:26])[OH:20])[CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][C:18](=[O:21])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-14828
metacycM:CPD-14828
LSETUZAYSCHYKL-QGZVFWFLSA-K
1-C16:0-alpha,omega-dicarboxyl-2-lysophosphatidate
1-C16:0-DCA-2-LPA
1-alpha,omega-hexadecanedioyl-2-lysophosphatidic acid
1-alpha,omega-hexadecanedioyl-glycerol-3-phosphate
sn-1-C16:0-DCA-LPA

seed.compound:cpd34377
seedM:cpd34377
LSETUZAYSCHYKL-QGZVFWFLSA-K
1-C16:0-DCA-2-LPA
1-C16:0-alpha,omega-dicarboxyl-2-lysophosphatidate
1-alpha,omega-hexadecanedioyl-2-lysophosphatidic acid
1-alpha,omega-hexadecanedioyl-glycerol-3-phosphate
sn-1-C16:0-DCA-LPA

seedM:M_cpd34377
secondary/obsolete/fantasy identifier