In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05039ASZ |
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Common Name | PGP(P-20:1(9Z)/16:1(7Z)) |
Systematic Name | 1-(1Z,9Z-eicosadienyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol-3'-phosphate) |
Synonyms | PGP(P-36:2); PGP(P-20:1/16:1) |
Exact Mass | |
Formula | C42H80O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503] |
PubChem Compound ID (CID) | - |
InChIKey | QVWUMCQOXQMIOZ-GRAVUZPTSA-N |
InChI | InChI=1S/C42H80O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-50- 38-41(39-53-56(48,49)52-37-40(43)36-51-55(45,46)47)54-42(44)34-32-30-28-26-24-22 -16-14-12-10-8-6-4-2/h19-20,22,24,33,35,40-41,43H,3-18,21,23,25-32,34,36-39H2,1- 2H3,(H,48,49)(H2,45,46,47)/b20-19-,24-22-,35-33-/t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\ CCCCCC/C=C\CCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |