In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AA0 |
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Common Name | PC(10:0/20:4(5Z,7E,11Z,14Z)(9OH[S])) |
Systematic Name | 1-decanoyl-2-(9S-HETE)-sn-glycero-3-phosphocholine |
Synonyms | PC(30:4(OH)); PC(10:0/20:4(OH)) |
Exact Mass | |
Formula | C38H68NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | ANTDAKRSMYWDSD-AXJTUASNSA-N |
InChI | InChI=1S/C38H68NO9P/c1-6-8-10-12-14-15-17-19-23-27-35(40)28-24-20-18-22-26-30-38 (42)48-36(34-47-49(43,44)46-32-31-39(3,4)5)33-45-37(41)29-25-21-16-13-11-9-7-2/h 14-15,18-20,23-24,28,35-36,40H,6-13,16-17,21-22,25-27,29-34H2,1-5H3/b15-14-,20-1 8-,23-19-,28-24+/t35-,36+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCCC )=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |