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Chemistry, part 2

Content language

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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 > olefinic compound > enone > (4r)-4,5-dihydro-4-hydroxygeldanamycin
... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > (4r)-4,5-dihydro-4-hydroxygeldanamycin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > (4r)-4,5-dihydro-4-hydroxygeldanamycin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > (4r)-4,5-dihydro-4-hydroxygeldanamycin

Preferred term

(4r)-4,5-dihydro-4-hydroxygeldanamycin  

Type

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

Broader concept

charge

  • 0

formula

  • C29H42N2O10

inchi

  • InChI=1S/C29H42N2O10/c1-14-8-19-25(35)20(13-21(33)27(19)40-7)31-28(36)17(4)11-18(32)12-23(39-6)26(41-29(30)37)16(3)10-15(2)24(34)22(9-14)38-5/h10-11,13-15,18,22-24,26,32,34H,8-9,12H2,1-7H3,(H2,30,37)(H,31,36)/b16-10-,17-11-/t14-,15+,18+,22+,23+,24-,26+/m1/s1

inchikey

  • HNYXYDNFRIJYMY-IKGCBMDFSA-N

mass

  • 578.659

monoisotopicmass

  • 578.28395

smiles

  • O=C1NC=2C(=O)C(=C(OC)C(C2)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C[C@H](C=C1C)O)OC)OC(=O)N)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(4Z,6R,8S,9S,10Z,12S,13R,14S,16R)-6,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-9-yl] carbamate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208746

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