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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 > lipid > steroid > cholanoid > 3alpha,12beta-dihydroxy-5beta-chol-9(11)-en-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 3alpha,12beta-dihydroxy-5beta-chol-9(11)-en-24-oic acid
... > 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 > cholanoid > 3alpha,12beta-dihydroxy-5beta-chol-9(11)-en-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 3alpha,12beta-dihydroxy-5beta-chol-9(11)-en-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > 3alpha,12beta-dihydroxy-5beta-chol-9(11)-en-24-oic acid

Preferred term

3alpha,12beta-dihydroxy-5beta-chol-9(11)-en-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H38O4

inchi

  • InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h13-19,21,25-26H,4-12H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,21-,23+,24-/m1/s1

inchikey

  • XAGTZUQUSSNQAI-MQBBQEGVSA-N

mass

  • 390.564

monoisotopicmass

  • 390.27701

smiles

  • O[C@H]1[C@]2([C@]([C@]3(C([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)=C1)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • (4R)-4-[(3R,5R,8S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:196606

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