In-Silico Structure Database (LMISSD)

Common Name
PS(14:1(9Z)/7:1(5E)(4OH,7OH,7Ke))
Systematic Name
1-(9Z-tetradecenoyl)-2-(4-hydroxy-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ALC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
623.270682
Formula
C27H46NO13P
Download as...
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)
KFBYEJZTHADGGW-PUCOUJPESA-N
InChi (Click to copy)
InChI=1S/C27H46NO13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-25(32)38-18-22(19-39-42(36,37)40-20-23(28)27(34)35)41-26(33)17-15-21(29)14-16-24(30)31/h5-6,14,16,21-23,29H,2-4,7-13,15,17-20,28H2,1H3,(H,30,31)(H,34,35)(H,36,37)/b6-5-,16-14+/t21?,22-,23+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC(O)/C=C/C(=O)O)=O)COC(CCCCCCC/C=C\CCCC)=O)(=O)O

References

Other Databases