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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 > cholestanoid > 7_-hydroxycholesterol-1_-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 7_-hydroxycholesterol-1_-carboxylic 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 > cholestanoid > 7_-hydroxycholesterol-1_-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 7_-hydroxycholesterol-1_-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > 7_-hydroxycholesterol-1_-carboxylic acid

Preferred term

7_-hydroxycholesterol-1_-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O4

inchi

  • InChI=1S/C28H46O4/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(11-12-27(20,21)4)28(5)18(14-24(25)30)13-19(29)15-23(28)26(31)32/h14,16-17,19-25,29-30H,6-13,15H2,1-5H3,(H,31,32)/t17-,19-,20?,21+,22+,23+,24+,25+,27-,28+/m1/s1

inchikey

  • QKUUBBQTLMCVGF-YUYJMFPXSA-N

mass

  • 446.672

monoisotopicmass

  • 446.33961

smiles

  • O=C(O)[C@H]1[C@]2(C(=C[C@H](O)[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4[C@@H](CCCC(C)C)C)C)C[C@H](C1)O)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,7R,8S,9S,10S,13R,14S)-3,7-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226988

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