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sn-2-C16:0-DCA-LPA

PropertiesImage
MNX_IDMNXM114729 Image of MNXM114729
referencemetacycM:CPD-14777
formulaC19H34O9P
global charge-3
mol weight437.446
InChIKeyHTUVNKNXUCIHRU-QGZVFWFLSA-K
InChIInChI=1S/C19H37O9P/c20-15-17(16-27-29(24,25)26)28-19(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)O[C@H](CO)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C19H37O9P/c20-15-17(16-27-29(24,25)26)28-19(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 MNXM114729
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][C:19](=[O:23])[O:28][C@H:17]([CH2:15][OH:20])[CH2:16][O:27][P:29]([OH:24])([OH:25])=[O:26])[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-14777
metacycM:CPD-14777
HTUVNKNXUCIHRU-QGZVFWFLSA-K
sn-2-C16:0-DCA-LPA
1-lyso-2-C16:0-alpha,omega-dicaboxyl-phosphatidic acid
2-C16:0-DCA-LPA
2-C16:0-alpha,omega-dicaboxyl-lysophosphatidic acid
2-alpha,omega-hexadecanedioyl-glycerol-3-phosphate
2-alpha,omega-hexadecanedioyl-lysophosphatidic acid

seed.compound:cpd31607
seedM:cpd31607
HTUVNKNXUCIHRU-QGZVFWFLSA-K
1-lyso-2-C16:0-alpha,omega-dicaboxyl-phosphatidic acid
2-C16:0-DCA-LPA
2-C16:0-alpha,omega-dicaboxyl-lysophosphatidic acid
2-alpha,omega-hexadecanedioyl-glycerol-3-phosphate
2-alpha,omega-hexadecanedioyl-lysophosphatidic acid
sn-2-C16:0-DCA-LPA

seedM:M_cpd31607
secondary/obsolete/fantasy identifier