N-retinylidene-N-retinylethanolamine (Q27139841)

CHEBI:71980 (English)

7 October 2016

chemical formula

C₄₂H₅₈NO⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC2=CC(=[N+](C=C2)CCO)C=C(C)C=CC=C(C)C=CC3=C(CCCC3(C)C)C)C

1 reference

CHEBI:71980 (English)

7 October 2016

isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C2=CC(=[N+](C=C2)CCO)/C=C(\C)/C=C/C=C(\C)/C=C/C3=C(CCCC3(C)C)C)/C

1 reference

CHEBI:71980 (English)

InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+

7 October 2016

Identifiers

InChI

1 reference

CHEBI:71980 (English)

WPWFMRDPTDEJJA-FAXVYDRBSA-N

7 October 2016

InChIKey

2 references

CHEBI:71980 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

di-retinoid-pyridinium-ethanolamine (English)

7 October 2016

1 reference

CHEBI:71980 (English)

7 October 2016

Reaxys registry number

7504687

1 reference

N-retinylidene-N-retinylethanolamine (English)

7 October 2016

ChEBI ID

71980

mapping relation type

1 reference

N-retinylidene-N-retinylethanolamine (English)

7 October 2016

1 reference