In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20079AAL |
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Common Name | PA(10:0/18:2(10E,12Z)(9OH[S])) |
Systematic Name | 1-decanoyl-2-(9S-HODE)-sn-glycero-3-phosphate |
Synonyms | PA(28:2(OH)); PA(10:0/18:2(OH)) |
Exact Mass | |
Formula | C31H57O9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | NORMZXMRHAWWID-ZUHVDJAJSA-N |
InChI | InChI=1S/C31H57O9P/c1-3-5-7-9-11-14-18-22-28(32)23-19-15-13-17-21-25-31(34)40-29 (27-39-41(35,36)37)26-38-30(33)24-20-16-12-10-8-6-4-2/h11,14,18,22,28-29,32H,3-1 0,12-13,15-17,19-21,23-27H2,1-2H3,(H2,35,36,37)/b14-11-,22-18+/t28-,29-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCC[C@H](O)/C=C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |