In-Silico Structure Database (LMISSD)

Common Name
PS(14:1(9Z)/8:1(6E)(5Ke,8OH,8Ke))
Systematic Name
1-(9Z-tetradecenoyl)-2-(5-keto-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ALG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
635.270682
Formula
C28H46NO13P
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]

String Representations

InChiKey (Click to copy)
CYZCFLPRKQULSS-GRLBGEAZSA-N
InChi (Click to copy)
InChI=1S/C28H46NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-15-26(33)39-19-23(20-40-43(37,38)41-21-24(29)28(35)36)42-27(34)16-13-14-22(30)17-18-25(31)32/h5-6,17-18,23-24H,2-4,7-16,19-21,29H2,1H3,(H,31,32)(H,35,36)(H,37,38)/b6-5-,18-17+/t23-,24+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCC/C=C\CCCC)=O)(=O)O

References

Other Databases