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Yendolipin [(2S)-2-[(3R)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icopentaenoyloxy]-(8Z,11Z,14Z)-8,11,14-icosatrienoylamino]-5-trimethylammoniopentanoate]
SpectraBase Compound ID 1rz99erQWDX
InChI InChI=1S/C48H78N2O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-47(52)55-44(43-46(51)49-45(48(53)54)40-38-42-50(3)4)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,25,27-28,30-31,33,44-45H,5-6,8,10-12,17-18,23-24,26,29,32,34-43H2,1-4H3,(H,49,51)(H,53,54)/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,30-28-,33-31-/t44-,45-/m0/s1
InChIKey SGSXLVGSTILAAX-SYFSRIRDSA-N
Mol Weight 763.2 g/mol
Molecular Formula C48H78N2O5
Exact Mass 762.591074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZxbaEggMq
Name Yendolipin [(2S)-2-[(3R)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icopentaenoyloxy]-(8Z,11Z,14Z)-8,11,14-icosatrienoylamino]-5-trimethylammoniopentanoate]
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Formula C48H78N2O5
InChI InChI=1S/C48H78N2O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-47(52)55-44(43-46(51)49-45(48(53)54)40-38-42-50(3)4)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,25,27-28,30-31,33,44-45H,5-6,8,10-12,17-18,23-24,26,29,32,34-43H2,1-4H3,(H,49,51)(H,53,54)/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,30-28-,33-31-/t44-,45-/m0/s1
InChIKey SGSXLVGSTILAAX-SYFSRIRDSA-N
Molecular Weight 763.161 g/mol
SMILES N(C(C[C@@](OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(CCCC\C=C/CC\C=C/C\C=C/CCCCC)[H])=O)[C@](C(=O)O)(CCCN(C)C)[H]
SPLASH splash10-0bti-0092400000-5426fb85976ebf7ca3ba
Source of Spectrum F-53-873-1
Synonyms (2S)-5-(dimethylamino)-2-({(8Z,12Z,15Z)-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-8,12,15-henicosatrienoyl}amino)pentanoic acid
Wiley ID 800205