Terminology Service for NFDI4Health
JSON

Dig-Cy5

Go to external page http://purl.obolibrary.org/obo/CHEBI_72459

A cyanine conjugate in which digitoxigenin is connected to Cy5 via a 6-[(2-acetamidoethyl)amino]-6-oxohexyl linker.

Term info

Label

Dig-Cy5

Synonyms
  • 3beta-[2-({2-[(6-{(2Z)-2-[(2E,4E)-5-(1-ethyl-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-yl)penta-2,4-dien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoyl)amino]ethyl}amino)-2-oxoethoxy]-12beta,14-dihydroxy-5beta-card-20(22)-enolide
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta-[2-({2-[(6-{(2Z)-2-[(2E,4E)-5-(1-ethyl-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-yl)penta-2,4-dien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoyl)amino]ethyl}amino)-2-oxoethoxy]-12beta,14-dihydroxy-5beta-card-20(22)-enolide [ IUPAC ]

charge

0

formula

C60H82N4O13S2

has obo namespace

chebi_ontology

has related synonym

digoxigenylated Cy5, digoxigeninylated Cy5

id

CHEBI:72459

inchi

InChI=1S/C60H82N4O13S2/c1-8-63-48-22-19-41(78(70,71)72)33-46(48)56(2,3)50(63)15-11-9-12-16-51-57(4,5)47-34-42(79(73,74)75)20-23-49(47)64(51)30-14-10-13-17-53(66)61-28-29-62-54(67)37-76-40-24-26-58(6)39(32-40)18-21-44-45(58)35-52(65)59(7)43(25-27-60(44,59)69)38-31-55(68)77-36-38/h9,11-12,15-16,19-20,22-23,31,33-34,39-40,43-45,50,52,65,69H,8,10,13-14,17-18,21,24-30,32,35-37H2,1-7H3,(H,61,66)(H,62,67)(H,70,71,72)(H,73,74,75)/b12-9+,15-11+,51-16-/t39-,40+,43-,44-,45+,50?,52-,58+,59+,60+/m1/s1

inchikey

OIGBGGFDMZZJOF-WNOAWAAYSA-N

mass

1131.44200

monoisotopicmass

1130.53198

smiles

[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)OCC(=O)NCCNC(=O)CCCCCN1c2ccc(cc2C(C)(C)\C1=C\C=C\C=C\C1N(CC)c2ccc(cc2C1(C)C)S(O)(=O)=O)S(O)(=O)=O