CHEBI:141516 - CholEsteryl BODIPY 542/563 C11

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ChEBI Name CholEsteryl BODIPY 542/563 C11
ChEBI ID CHEBI:141516
ChEBI ASCII Name CholEsteryl BODIPY 542/563 C11
Definition A BODIPY dye in which the 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene skeleton is substituted at position 5 by a p-methoxyphenyl group and at position 3 by an 11-[(3β)-cholest-5-en-3-yloxy]-11-oxoundecyl group. An orange-red BODIPY dye.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sabrina Toro
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Formula C54H77BF2N2O3
Net Charge 0
Average Mass 851.011
Monoisotopic Mass 850.59953
InChI InChI=1S/C54H77BF2N2O3/c1-38(2)16-15-17-39(3)48-29-30-49-47-28-22-41-36-46(32-34-53(41,4)50(47)33-35-54(48,49)5)62-52(60)19-14-12-10-8-7-9-11-13-18-42-23-24-43-37-44-25-31-51(59(44)55(56,57)58(42)43)40-20-26-45(61-6)27-21-40/h20-27,31,37-39,46-50H,7-19,28-30,32-36H2,1-6H3/t39-,46+,47+,48-,49+,50+,53+,54-/m1/s1
InChIKey LNQPBCQHFFFEBZ-QMELCRKVSA-N
SMILES C(CCCCCCCCCC(O[C@@H]1CC=2[C@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])(C)CC1)=O)C=5N6[B-]([N+]7=C(C=CC7=CC6=CC5)C=8C=CC(=CC8)OC)(F)F
Roles Classification
Application(s): dye

(via BODIPY dye )
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ChEBI Ontology
Outgoing CholEsteryl BODIPY 542/563 C11 (CHEBI:141516) is a BODIPY dye (CHEBI:51123)
CholEsteryl BODIPY 542/563 C11 (CHEBI:141516) is a cholesteryl ester (CHEBI:17002)
CholEsteryl BODIPY 542/563 C11 (CHEBI:141516) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[(3β)-cholest-5-en-3-yl 11-(5-{[5-(4-methoxyphenyl)-2H-pyrrol-2-ylidene-κN]methyl}-1H-pyrrol-2-yl-κN)undecanoatato](difluoro)boron
Synonyms Sources
[cholest-5-en-3β-yl 11-(5-{[5-(4-methoxyphenyl)-2H-pyrrol-2-ylidene-κN]methyl}-1H-pyrrol-2-yl-κN)undecanoatato](difluoro)boron ChEBI
CE11-BODIPY SUBMITTER
cholesteryl 4,4-difluoro-5-(4-methoxyphenyl)-4-bora-3a,4a-diaza-s-indacene-3-undecanoate ChEBI
CholEsteryl BODIPY 542/563 C11 SUBMITTER
Registry Number Type Source
151911-45-4 CAS Registry Number ChEBI
Last Modified
02 November 2018