2-[(2-{[2-({2,4-dinitro-5-[2,2,6,6-tetramethyl-1-(ylooxy)piperidin-4-ylamino]phenyl}amino)ethyl]amino}-2-oxoethoxy)acetamido]ethyl 1,2-dipalmitoylglycero-3-phosphate (Q27124177)

lipid hapten II (English)

6 October 2016

chemical formula

C₅₈H₁₀₂N₇O₁₆P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)COCC(=O)NCCNC1=C(C=C(C(=C1)NC2CC(N(C(C2)(C)C)[O])(C)C)[N+](=O)[O-])[N+](=O)[O-])OC(=O)CCCCCCCCCCCCCCC

1 reference

lipid hapten II (English)

InChI=1S/C58H103N7O16P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-55(68)78-43-48(81-56(69)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)44-80-82(75,76)79-38-37-61-54(67)46-77-45-53(66)60-36-35-59-49-39-50(52(64(72)73)40-51(49)63(70)71)62-47-41-57(3,4)65(74)58(5,6)42-47/h39-40,47-48,59,62H,7-38,41-46H2,1-6H3,(H,60,66)(H,61,67)(H,75,76)/p-1

6 October 2016

Identifiers

InChI

1 reference

lipid hapten II (English)

IPYGKLYFGRBLPV-UHFFFAOYSA-M

6 October 2016

InChIKey

2 references

lipid hapten II (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

{4-[(5-{[13,13-Dioxido-4,8,19-trioxo-16-(palmitoyloxy)-6,12,14,18-tetraoxa-3,9-diaza-13lambda~5~-phosphatetratriacont-1-yl]amino}-2,4-dinitrophenyl)amino]-2,2,6,6-tetramethyl-1-piperidinyl}oxidanyl (English)

6 October 2016

2 references

lipid hapten II (English)

matched by identifier from

6 October 2016

InChIKey

IPYGKLYFGRBLPV-UHFFFAOYSA-M

ChEBI ID

53728

mapping relation type

2 references

2-[(2-{[2-({2,4-dinitro-5-[2,2,6,6-tetramethyl-1-(ylooxy)piperidin-4-ylamino]phenyl}amino)ethyl]amino}-2-oxoethoxy)acetamido]ethyl 1,2-dipalmitoylglycero-3-phosphate (English)