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(22S,24R)-3alpha-ureido-ergosta-4,6,8(14),22-tetraene

http://purl.obolibrary.org/obo/CHEBI_66343

A member of the class of ureas that is urea substituted by a (3beta,22E)-ergosta-4,6,8(14),22-tetraen-3-yl group at position 1. Isolated from the fruit bodies of the fungus Chlorophyllum molybdites, it exhibits cytotoxicity against Kato III cells.

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Term info

Label

(22S,24R)-3alpha-ureido-ergosta-4,6,8(14),22-tetraene

Synonyms

1-[(3alpha,22E)-ergosta-4,6,8(14),22-tetraen-3-yl]urea

database cross reference

Subsets

3_STAR

IUPAC NAME

1-[(3alpha,22E)-ergosta-4,6,8(14),22-tetraen-3-yl]urea [ IUPAC ]

charge

formula

C29H44N2O

has obo namespace

chebi_ontology

CHEBI:66343

inchi

InChI=1S/C29H44N2O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(31-27(30)32)13-15-28(21,5)26(23)14-16-29(24,25)6/h7-10,17-20,22,24,26H,11-16H2,1-6H3,(H3,30,31,32)/b8-7+/t19-,20+,22+,24+,26-,28-,29+/m0/s1

inchikey

QMRIXJXCSWHXLU-JEFNDHMRSA-N

mass

436.67250

monoisotopicmass

436.34536

smiles

CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(N)=O

Term relations

Subclass of: