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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > ergostanoid > 3,14,25-trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3,14,25-trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3,14,25-trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3,14,25-trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 3,14,25-trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one

Preferred term

3,14,25-trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C28H44O5

inchi

  • InChI=1S/C28H44O5/c1-17(6-7-18(16-29)25(2,3)32)20-10-13-28(33)22-15-24(31)23-14-19(30)8-11-26(23,4)21(22)9-12-27(20,28)5/h6-7,15,17-21,23,29-30,32-33H,8-14,16H2,1-5H3/b7-6+/t17-,18-,19+,20-,21+,23-,26-,27-,28-/m1/s1

inchikey

  • KZXSEYDTLJXXRM-DQXYIBCXSA-N

mass

  • 460.655

monoisotopicmass

  • 460.31887

smiles

  • O=C1C=C2[C@@]3(O)[C@@]([C@@H]([C@@H](/C=C/[C@@H](C(O)(C)C)CO)C)CC3)(CC[C@@H]2[C@@]4([C@@H]1C[C@@H](O)CC4)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5S,9R,10R,13R,14S,17R)-3,14-dihydroxy-17-[(E,2R,5R)-6-hydroxy-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218767

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