In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039ACS |
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Common Name | PC(P-16:1(11Z)/15:1(9Z)) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(P-31:2); PC(P-16:1/15:1) |
Exact Mass | |
Formula | C39H74NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | ACLBFADOCHRHRS-FTDKXOSMSA-N |
InChI | InChI=1S/C39H74NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-36-38(37-46 -48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h12, 14-15,17,31,34,38H,6-11,13,16,18-30,32-33,35-37H2,1-5H3/b14-12-,17-15-,34-31-/t3 8-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C =C\CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |